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4-(4-Bromo-Phenyl)-Piperazine-1-Carboxylic Acid Tert-Butyl Ester

    • Product Name 4-(4-Bromo-Phenyl)-Piperazine-1-Carboxylic Acid Tert-Butyl Ester
    • Alias tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate
    • Einecs 802-540-7
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry admin@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
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    Specifications

    HS Code

    545265

    Product Name 4-(4-Bromo-Phenyl)-Piperazine-1-Carboxylic Acid Tert-Butyl Ester
    Cas Number 1159820-06-0
    Molecular Formula C15H21BrN2O2
    Molecular Weight 357.24 g/mol
    Appearance White to off-white solid
    Purity Typically >98%
    Melting Point 90-94°C
    Solubility DMSO, DMF, methanol (soluble); water (slightly soluble)
    Storage Conditions Store at 2-8°C, dry and dark
    Synonyms tert-Butyl 4-(4-bromophenyl)piperazine-1-carboxylate
    Smiles CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)Br
    Inchi InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-9-7-17(8-10-18)12-5-4-11(16)6-13(12)15/h4-6H,7-10H2,1-3H3

    As an accredited 4-(4-Bromo-Phenyl)-Piperazine-1-Carboxylic Acid Tert-Butyl Ester factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

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    Application of 4-(4-Bromo-Phenyl)-Piperazine-1-Carboxylic Acid Tert-Butyl Ester

    Applications of 4-(4-Bromo-Phenyl)-Piperazine-1-Carboxylic Acid Tert-Butyl Ester in Industrial Manufacturing

    As a dedicated manufacturer of 4-(4-Bromo-Phenyl)-Piperazine-1-Carboxylic Acid Tert-Butyl Ester, we focus exclusively on supplying this intermediate to precision-driven pharmaceutical and chemical sectors where traceability, process reliability, and regulatory alignment are essential. Below, we outline its established downstream uses across tightly defined industry segments, referencing actual formulation practices, integration stages, and compliance factors observed at our customer sites and globally benchmarked facilities.

    1. Active Pharmaceutical Ingredient (API) Synthesis – CNS Therapeutics

    This material functions as a key protected piperazine intermediate in the multi-step synthesis of central nervous system (CNS) drug candidates, especially those targeting serotonergic and dopaminergic receptors. It enters the synthetic route at an early stage, where the tert-butyl ester group preserves molecular integrity during successive coupling and deprotection steps, securing batch reproducibility for subsequent high-value API intermediates.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • 21 CFR Part 211 (FDA cGMP)
    • European Pharmacopoeia monograph alignment for piperazine derivatives (where required)
    • Certificate of Suitability (CEP) traceability for registered API processes

    Typical usage ratio

    • Added at 0.3–1.2 molar equivalents relative to principal coupling partner; ratio may vary depending on target API scaffold and downstream protection group management

    Downstream process integration

    • Introduced during early or mid-stage coupling and protection steps, prior to final deprotection and purification phases in API manufacturing

    Final product types

    • Synthesized APIs for CNS disorders (e.g., antipsychotic and antidepressant drug molecules under clinical or commercial development)

    2. Oncology Drug Intermediate Manufacturing

    Pharmaceutical manufacturers incorporate this compound when building advanced intermediates for targeted small-molecule oncology drugs. Its protected structure allows chemists to precisely introduce and manipulate functional groups during complex heterocyclic assembly, guaranteeing downstream selectivity and yield within strict process validation protocols for anticancer compounds.

    Industry compliance standards

    • ICH Q11 Development and Manufacture of Drug Substances
    • US FDA Drug Master File (DMF) referencing for intermediates
    • GMP certification per EudraLex Volume 4 Part II
    • Controlled product registration with Chinese NMPA for oncology intermediates

    Typical usage ratio

    • Most oncology synthesis schemes: 0.5–1.5 molar equivalents depending on the reaction sequence and protection/deprotection chemistry employed

    Downstream process integration

    • Fed into heterocycle construction and palladium-catalyzed cross-coupling stages, where protecting groups are selectively removed at late-stage steps according to validated batch protocols

    Final product types

    • Advanced intermediates for kinase inhibitors and other patented oncology APIs

    3. Custom Contract Research and Manufacturing (CRAM) for Medicinal Chemistry Libraries

    Researchers and CRAM service partners utilize this compound to assemble screening libraries for early-phase drug discovery. Its design supports parallel synthesis of heterocyclic analogues, granting rapid protection/deprotection under mild conditions within automated setups. Handling protocols are documented to ensure full sample traceability and compliance from preclinical compounds to later inbound GMP production.

    Industry compliance standards

    • ISO 9001:2015 Quality Management for Laboratory Operations
    • GLP (Good Laboratory Practice) regulations for non-clinical R&D
    • REACH (EC 1907/2006) registration where supplied in or to Europe
    • Local workplace HSE and chemical management regulations

    Typical usage ratio

    • Batch size and ratio tailored per scaffold, usually 0.8–1.3 molar equivalents; automation platforms may recommend slight excess to drive reaction completion in parallel synthesis

    Downstream process integration

    • Direct feed into solid-phase or solution-phase combinatorial synthesis, followed by robotic purification and screening workflows

    Final product types

    • Medicinal chemistry libraries including custom-piperazine analogues and hit-to-lead candidates for pharma clients

    4. Fine Chemicals for Diagnostic Reagent Building Blocks

    Manufacturers producing diagnostic reagent kits for research employ this intermediate in the synthesis of specialized probes and labeling molecules. Its stability, enabled by tert-butyl ester protection, supports multi-step functionalization without compromising analytical purity, ensuring end-use compatibility in high-sensitivity diagnostic assays.

    Industry compliance standards

    • ISO 13485 Medical Devices – Quality Management for Diagnostic Reagents
    • Material traceability per 21 CFR Part 820 (FDA QSR) for device components
    • EHS and chemical labeling in accordance with GHS/CLP
    • Analytical method validation per CLIA (for US laboratory-developed tests)

    Typical usage ratio

    • Reaction input commonly ranges from 0.4–1.0 equivalent based on reagent output per batch; lab scale and pilot scale production protocols guide adjustment

    Downstream process integration

    • Incorporated into multi-step chemical conjugation or fluorescent labelling procedures, typically followed by HPLC purification and activity release testing

    Final product types

    • Functionalized diagnostic reagents, chemiluminescent probe precursors, labeled detection agent building blocks

    5. Advanced Agrochemical R&D Intermediates

    Agrochemical discovery groups adopt this specialty intermediate for structural diversification during agrochemical lead optimization, enabling controlled derivatization of piperazine backbones in new crop protection candidates. Consistent use of this protected acid structure prevents premature side reactions in multi-step pipelines and supports scalable field trial material synthesis under regulatory oversight.

    Industry compliance standards

    • OECD Principles of Good Laboratory Practice for agrochemical development
    • ISO 9001:2015 for specialty chemical synthesis
    • ISO 17025 for analytical validation of purity during formulation
    • Local and national agrochemical registration requirements

    Typical usage ratio

    • Varies from 0.5–1.2 molar equivalents; project-specific depending on the stepwise modification strategy and downstream functionalization required

    Downstream process integration

    • Applied during intermediate formation and functionalization phases before final purification and field trial formulation in crop protection discovery

    Final product types

    • Piperazine-modified agrochemical intermediates, pilot-scale lead compounds for herbicide and fungicide development
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    More Introduction

    Introducing 4-(4-Bromo-Phenyl)-Piperazine-1-Carboxylic Acid Tert-Butyl Ester: A Modern Chemical for Targeted Synthesis

    Building with Insight: The Value of Precision Chemicals

    Organic chemistry continues to evolve, driven by the need to create new pharmaceuticals, agrochemicals, and advanced materials. Over years in laboratory settings, it becomes clear that not all intermediates deliver the same performance and reliability. 4-(4-Bromo-Phenyl)-Piperazine-1-Carboxylic Acid Tert-Butyl Ester stands out because it brings together stability, selective reactivity, and structural versatility. Researchers who have spent countless days troubleshooting yield issues understand just how impactful the choice of intermediate can become—not only for the bottom line, but for safety and clarity of results.

    Model and Specifications: What Sets This Compound Apart

    This compound, often recognized by its systematic structure, merges a bromo-substituted phenyl group and piperazine backbone with a tert-butyl ester carboxyl protection. That chemical mouthful matters because each feature serves a purpose. The bromo group attached to the phenyl ring isn’t just for show; it provides a reactive site ready for Suzuki couplings or other cross-coupling reactions. The piperazine core adds rigidity and introduces a pathway familiar to medicinal chemists, offering potential for fine-tuning biological actions. The tert-butyl ester acts as a protective group, making this version especially suitable for sequences requiring deprotection steps at later stages without risking damage elsewhere in a molecule. This level of design makes the compound more than a list of atoms—it’s a strategic tool.

    Why Chemists Reach for This Intermediate

    Years of bench work bring about a certain understanding of which building blocks actually save time and which introduce headaches. Older alternatives without the tert-butyl protected carboxyl group often fall short when the synthesis calls for late-stage functionalization. Harsh deprotection conditions can scramble delicate configurations, wasting days of effort. In practical terms, chemists appreciate that this tert-butyl ester allows deprotection under milder acidic conditions, protecting more complex molecular features downstream. You notice the difference whenever sensitive amide or heterocyclic moieties need to survive all the way through the route. It’s like using a precision wrench instead of hammering at a bolt.

    Comparing Against Other Piperazine Intermediates

    Think back to the days of using simple piperazine derivatives or phenylpiperazines without the bromo functionalization. Those compounds serve basic scaffold purposes, but they close off opportunities for fine-tuned modifications. Without a bromo group on the para-phenyl ring, your choices narrow; you can't easily set up palladium-catalyzed transformations that open doors to diverse libraries. Substituents alter the electronic and steric landscape. Substituted phenylpiperazines, especially those designed for pharmaceutical research, sometimes introduce unwanted side reactions or prove unstable when scale-up comes into play. Harsh reagents required for removing less labile ester groups, like methyl or ethyl, can create purification nightmares or even scrub away fragile portions of a molecule—which is a risk anyone who’s lost a batch to column chromatography knows all too well. This tert-butyl ester sidesteps those pitfalls, offering a clean break under the right conditions.

    Real-World Usage: How Labs Adopt this Chemical

    In drug discovery, time matters. Teams pour effort into crafting molecules with precise biological activity, and a trusted intermediate can shave weeks off development timelines. 4-(4-Bromo-Phenyl)-Piperazine-1-Carboxylic Acid Tert-Butyl Ester fits as a junction point in synthesizing compounds that test for analgesic, antipsychotic, and antiviral properties. Its structure allows for quick diversification using well-mapped reactions. In practice, researchers introduce bespoke side chains at the aromatic ring with relative ease, preserving the core piperazine framework. For those who worked with earlier, less functionalized compounds, this targeted reactivity means less troubleshooting and more successful analogues per synthetic cycle. Those are tangible benefits, especially under tight deadlines typical in startup or academic settings.

    Personal Lessons from the Bench: Choosing the Right Tools

    It’s tempting as a young researcher to reach for whatever’s on the shelf or to stick with compounds you’ve seen in established procedures. The lesson comes after seeing productivity stall, purification layers multiply, or yields shrink because of poorly chosen intermediates. For experienced chemists, switching from basic carboxylic acids or simple esters to a tert-butyl-protected system feels like discovering a shortcut in a familiar city. The work streamlines, steps drop, and the whole workflow accelerates. I’ve seen colleagues sigh in relief when the tert-butyl group comes off smoothly while neighboring groups stay intact—especially when trying to preserve sensitive pharmacophores. It is conversions like these that foster trust in a compound’s design and manufacturing consistency.

    Supplying Consistent Performance: Purity and Batch Reliability

    Research can only advance with confidence in the tools used. Impurities in chemical stock can derail promising leads, introducing artifacts in bioassays or confusing structure-activity relationship data. This intermediate, manufactured under protocols that meet strict quality thresholds, tends to deliver reliable assay results. Buyers familiar with subpar batches know how a cheap intermediate can bleed time, budget, and goodwill. Availability in high purity grades aligns with the requirements of both discovery-phase research and process development, supporting the transition from milligram to larger, even pilot-plant, quantities without loss of profile.

    Safety Considerations and Handling Traits

    Chemists recognize that subtleties in chemical structure affect more than reactivity—handling safety and environmental control matter as much. The tert-butyl ester often offers better handling characteristics compared to lower molecular weight analogues, which may be volatile or emit noxious odors. Labs see less loss to evaporation, fewer respiratory complaints, and smoother inventory controls when intermediates remain stable under storage and everyday use. Environmental teams appreciate the more straightforward byproduct management, especially if downstream deprotection steps consistently yield tert-butanol and harmless fragments.

    Supporting Innovation in Agile R&D

    Teams involved in rapid prototyping and high-throughput screening look for intermediates that fit a modular assembly approach. This compound’s combination of a reactive aryl bromide and a robust, yet cleavable, tert-butyl ester fits a menu-driven synthesis design. Each moiety on the molecule brings predictable chemistry, allowing for plug-and-play assembly of different analogues, whether the goal is receptor binding optimization or fine-tuning solubility. In my experience, research groups working on CNS-active compounds, for example, cycle through series of piperazine derivatives far more efficiently when intermediates provide broad utility rather than single-shot applications.

    Cost-Saving and Resource Streamlining

    Every well-managed lab watches its budgets with care. An intermediate that dovetails with streamlined synthesis routes saves more than reagent costs—it conserves labor and instrumentation time. The tert-butyl-protected carboxylic acid means teams avoid repeated purification cycles and unnecessary reagent replacements. Researchers can direct energy to experimental design and data analysis, not hunting for alternative purification schemes or resynthesizing failed batches. This resource ripple touches every member of a project, from graduate student to project manager.

    Meeting Regulatory and Scalability Demands

    As compounds transition from discovery to development, regulatory scrutiny increases. Impurity profiles, scalability, and repeat batch performance surface as critical gates. A mature intermediate like 4-(4-Bromo-Phenyl)-Piperazine-1-Carboxylic Acid Tert-Butyl Ester checks many boxes left blank by less robust alternatives. The wide use of tert-butyl esters in process chemistry demonstrates their acceptance and compliance with documentation requirements. Contract manufacturers can replicate the synthetic journey at larger scales without facing the unknowns that untested intermediates introduce. As someone who’s contributed to tech transfer teams, this predictability cuts down on surprise deviations, keeps costs in check, and smooths communication with regulatory affairs.

    Looking at the Future: Supporting New Possibilities

    As medicinal chemistry opens new therapeutic frontiers, especially in mental health and antiviral therapies, adaptable intermediates grow in importance. The ability to attach novel fragments or tune key physical properties often hinges on the entry point provided by a reactive site like a bromo-phenyl. This single feature expands access to chemical space, powering innovation initiatives that might otherwise stall. Many teams have pivoted toward more intricate molecular architectures, and the foundation built by reliable intermediates like this one proves essential for transforming ambitious ideas into tangible breakthroughs.

    Practical Solutions for Labs Seeking Optimization

    It’s easy to get lost in the optimism that surrounds new chemical entities. Seasoned teams keep a focus on practical progress. Choosing intermediates wisely supports steady, repeatable advances with every new analogue or candidate. Implementing efficient deprotection strategies and selecting reagents with known compatibility accelerates route scouting and process optimization. Teams can keep waste streams manageable, reduce workup steps, and protect project momentum. If you have ever watched a promising series grind to a halt because of one stubborn protecting group, switching to a tert-butyl ester system can deliver much-needed relief.

    Adaptability: Navigating New Synthetic Challenges

    Research seldom follows a straight path. New hypotheses require changes in scaffold, linker, or pharmacophore. Intermediates built with function-rich sites give projects a fighting chance at maneuvering around surprises. The ease of introducing new variables at the aryl ring or selectively opening the piperazine for further modification means less time devoted to custom synthesis and more focus on answering biological or physicochemical questions. Those who regularly modify structures benefit from the mix of options provided by this intermediate, including straightforward access to new analogues through trusted coupling protocols.

    Environmental Considerations and Sustainability

    Chemists have felt the pressure to adopt greener protocols, as environmental sustainability picks up steam at every level, from academic grants to industrial scale-ups. Reactions that rely on harsh acids, non-benign solvents, or complex waste streams no longer make the shortlist. The use of tert-butyl-protected intermediates aligns with the move toward less aggressive purification steps and predictable byproduct profiles. Reducing lost material from failed splits, limiting exposure to persistent organic pollutants, and simplifying solvent choices supports both safety and regulatory compliance. Over time, labs that shift toward “friendlier” intermediates see an impact on their bottom line as well as their environmental stewardship scorecards.

    Knowledge, Skill, and Compound Selection

    Years spent at the bench breed habits of discernment. Selecting an intermediate isn’t just a checkbox—it’s a calculated decision based on route complexity, side reaction history, and cumulative group experience. Labs that incorporate 4-(4-Bromo-Phenyl)-Piperazine-1-Carboxylic Acid Tert-Butyl Ester into their workflows do so because prior choices fell short, complicating scale-up or polluting analytical reads with interfering fragments. This compound’s repeatable purification, safe storage, and modular reactivity reflect the learning curve of practical chemistry. It brings value not because of a flashy label, but because research memories are shaped by the reliability or unpredictability of starting materials.

    Contributions to Structure-Activity Research

    Medicinal chemists drive progress by rapidly iterating structure-activity relationships (SAR). The limits of SAR work often trace back to the flexibility and accessibility of molecular intermediates. A para-bromophenyl core, hooked to piperazine and protected with tert-butyl ester, enables multiple rounds of inventive design—enabling divergent derivatizations and parallel synthesis. Teams working on these projects see productivity rise as “dead ends” disappear and cross-coupling options multiply. For anyone invested in scaffold-hopping or property tuning, this intermediate can mean the difference between staying competitive or lagging behind.

    Improving Team Dynamics and Lab Culture

    Lab morale often swings with project velocity. Chemistry that proceeds smoothly, without unexpected snags or endless troubleshooting, energizes a team. New students and seasoned researchers alike benefit from intermediates that “just work”—minimizing frustration and maximizing learning. Over the years, watching a group shift from clunky, multipurpose esters to robust, designer intermediates like the tert-butyl ester variant creates more room for collaboration and creative effort. Researchers spend less time firefighting small but persistent issues and more time exploring blue-sky projects or designing the next generation of molecules.

    Collaborative Research and Industry Partnership

    Collaboration often means navigating diverse endpoints and priorities. Clear, versatile intermediates smooth these junctions—allowing sets of partners to merge custom synthetic strategies confidently. This particular chemical, enjoying widespread acceptance for both its stability and performance, brings alignment to joint ventures between industry and academia. As someone who has witnessed cross-organization friction caused by incompatible or inconsistent materials, the value of a single compound that consistently performs cannot be overstated. Researchers align more easily around shared standards, and development timelines shrink when chemists on both sides use a trusted backbone.

    Supporting Data Transparency and Documentation

    Regulatory expectations around record-keeping and reproducibility keep rising. Reliable intermediates simplify this landscape. Full traceability, reproducible yields, and confidence in impurity profiles take the guesswork out of documentation. For teams accustomed to auxiliary purification or rescue steps, being able to streamline batch records and support audit-readiness translates into smoother project hand-offs and lower stress. This level of reliability supports deeper transparency in publications and patent filings—key outcomes for ambitious labs and companies alike.

    Paving the Way for Emerging Synthetic Applications

    Emerging trends, from bioorthogonal chemistry to personalized medicine, demand ever more tailored, flexible, and function-rich intermediates. 4-(4-Bromo-Phenyl)-Piperazine-1-Carboxylic Acid Tert-Butyl Ester embodies the type of chemical that empowers pioneering work without requiring endless customized modifications. With established points of reactivity and compatibility with modern synthetic tools, its utility extends into new territory, helping researchers blaze clearer, faster trails toward drug candidates or advanced materials.

    The Road Ahead: Investing in Better Chemistry

    Reflecting on years of synthetic problem-solving, the focus sharpens on adopting building blocks that conserve effort, funds, and intellectual momentum. As a field, chemistry advances on the shoulders of better, smarter choices in everyday work. This intermediate, designed for real-world applications and tested against the friction points of actual research, demonstrates the next step in that evolution. The journey continues, but every effective, reliable intermediate helps shape the landscape of scientific progress, discovery, and innovation.