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4,5-Difluoro-2-Methylindole

    • Product Name 4,5-Difluoro-2-Methylindole
    • Alias 4,5-Difluoro-2-methyl-1H-indole
    • Einecs 629-705-9
    • 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
    • CONTACT NOW
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    Specifications

    HS Code

    209933

    Chemical Name 4,5-Difluoro-2-Methylindole
    Molecular Formula C9H7F2N
    Molecular Weight 167.16 g/mol
    Cas Number 885276-48-8
    Appearance Light yellow to brown solid
    Purity Typically >98%
    Smiles Cc1cc2c(c(c1)F)c(c[nH]2)F
    Inchi InChI=1S/C9H7F2N/c1-5-2-6-7(3-8(5)10)9(11)4-12-6/h2-4,12H,1H3
    Synonyms 2-Methyl-4,5-difluoroindole
    Storage Conditions Store at 2-8°C

    As an accredited 4,5-Difluoro-2-Methylindole factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing A 25g amber glass bottle with tamper-evident seal, labeled "4,5-Difluoro-2-Methylindole," includes hazard pictograms and lot number.
    Shipping **Shipping Description for 4,5-Difluoro-2-Methylindole:** Packaged securely in a sealed container, 4,5-Difluoro-2-Methylindole is shipped as a laboratory chemical. It is handled under cool, dry conditions and protected from light. All relevant safety regulations are followed, including appropriate labeling, documentation, and use of suitable outer packaging to ensure safe transit.
    Storage 4,5-Difluoro-2-methylindole should be stored in a tightly sealed container, protected from light and moisture, in a cool, dry, and well-ventilated area. Keep away from sources of ignition, strong oxidizers, and incompatible materials. Store at room temperature or as specified by the supplier. Ensure proper labeling and follow relevant safety protocols for handling hazardous chemicals.
    Application of 4,5-Difluoro-2-Methylindole

    Applications of 4,5-Difluoro-2-Methylindole in Industrial Manufacturing

    4,5-Difluoro-2-Methylindole is a specialty intermediate used primarily by pharmaceutical and agrochemical producers. Our expertise as a direct manufacturer supports process development, scale-up, and ongoing supply to key industries requiring indole building blocks for complex synthesis. The applications below illustrate the distinct industrial contexts in which this compound is integrated, specifying compliance benchmarks, recipe guidelines, precise process stages, and typical product outputs.

    1. Active Pharmaceutical Ingredient (API) Synthesis – Kinase Inhibitor Drug Development

    API manufacturers use 4,5-Difluoro-2-Methylindole as a core starting material in multi-step syntheses of small-molecule kinase inhibitors. The compound enables introduction of fluoro-substituted indole motifs, which can enhance metabolic stability and binding selectivity in targeted therapy candidates. Process chemists determine addition quantities based on route efficiency and impurity profiling in clinical lead programs.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • US Pharmacopeia (USP) General Chapter <1010>, <1086>
    • EU Guidelines for Good Manufacturing Practice (EudraLex Volume 4)
    • FDA 21 CFR Part 211 (where applicable for direct or intermediate use)

    Typical usage ratio

    • Dose range typically 0.3–1.5 mol equivalents per reaction step, adjusted to regulatory impurity limits and process yield optimization. Chemists may modulate feed based on scale-up validation data and kinetic profiling.

    Downstream process integration

    • Introduced during the initial heterocycle coupling or as a late-stage indolization unit; integration typically occurs prior to formylation, C–N/C–C coupling, or fluorinated side-chain derivatization, followed by purification protocols aligned with GMP batch manufacturing.

    Final product types

    • Selective kinase inhibitor molecules intended for oncology, immunology, or metabolic disorders
    • Clinical trial API intermediates
    • Research-scale library compounds
    • Commercial API batch outputs (GMP-certified)

    2. Agrochemical Intermediate for Fungicide Active Ingredients

    Manufacturers in the crop protection sector utilize this indole derivative to synthesize specific triazole and strobilurin fungicide actives. The difluorinated structure enhances systemic activity and improves crop resistance profiles against fungal pathogens. Industrial formulators carefully monitor the inclusion level based on downstream multi-step reactivity and environmental safety data sheets (SDS) during formulation registration.

    Industry compliance standards

    • FAO/WHO Codex Alimentarius pesticide residue guidelines
    • OECD Good Laboratory Practice (GLP) Principles for Agrochemicals
    • EU Regulation (EC) No. 1107/2009 (Authorisation of Plant Protection Products)
    • China National Standard GB 2763 (Maximum Residue Limits)

    Typical usage ratio

    • Typically dosed at 0.5–2.5 wt% of the overall synthesis pathway for the target fungicide, depending on route complexity, step yield, and regulatory margin for residuals in the finished product formulation.

    Downstream process integration

    • Indole derivative enters at early-stage cyclization or halogenation steps; subsequent steps include ring functionalization, triazole ring fusion, or O-methylation depending on target molecule, prior to integration into bulk actives for formulation blending.

    Final product types

    • Active fungicidal substance for field spray applications
    • Seed treatment concentrate
    • Granular and suspension concentrate agrochemical products
    • Finished plant protection formulations compliant with residue codes

    3. Synthesis of Specialty Dyes for Electronics Applications

    Industrial electronics and display manufacturers use 4,5-Difluoro-2-Methylindole as a precursor for advanced organic semiconducting dyes. Its structure enables electron-withdrawing property tuning, which supports charge mobility and lifespan in OLED or organic photovoltaic layers. Material scientists refine formula input to balance color purity with required thermal and photo-stability.

    Industry compliance standards

    • RoHS Directive (2011/65/EU) for hazardous substances
    • IPC-4101 for base materials in electronics
    • IEC 62321 (Determination of certain substances in electrical/electronic products)
    • Local EECA/EPEAT eco-design protocols

    Typical usage ratio

    • 2–7 wt% of the total dye precursor mixture in masterbatch formulation, modified by optical density, absorption coefficient, and film formation requirements determined by electronic panel design.

    Downstream process integration

    • Precursor incorporated during initial dye backbone assembly, followed by Suzuki coupling or Stille cross-coupling, prior to sublimation purification and coating onto substrates or transfer to ink vehicle for micro-patterned deposition.

    Final product types

    • OLED display emissive and transport layers
    • Organic photovoltaic (OPV) film devices
    • Infrared/radiation selective filter coatings for sensors
    • Display colorant and data storage functional dyes

    4. Key Intermediate for Fluorinated Indole Derivatives in Central Nervous System (CNS) Research

    Pharmaceutical research manufacturers use this compound to construct custom indole scaffolds investigated in neurological drug discovery. The fluorination pattern influences CNS bioavailability and receptor binding kinetics. R&D chemists precisely weigh addition, adapting to structure-activity relationship (SAR) studies and regulatory-grade synthesis for preclinical compounds.

    Industry compliance standards

    • Good Laboratory Practice (GLP, OECD 21/1997)
    • USP 1092 Pharmaceutical Impurities (when producing regulated research samples)
    • ISO 9001:2015 Quality Management Systems
    • Local academic or institutional research compliance protocols (as applicable)

    Typical usage ratio

    • 0.25–1.0 molar equivalents relative to secondary building blocks, adjusted per SAR screening iteration and solubility optimization in CNS target libraries.

    Downstream process integration

    • Incorporated at scaffold assembly stage or as a late-stage fluorination site. Post-integration steps include amide coupling, N-protection, and final purification for submission to preclinical bioassays or CNS receptor test panels.

    Final product types

    • Investigational CNS lead structures for neurological screening
    • Reference standards for receptor binding study
    • Early-phase specialty API candidates
    • Catalog chemicals for neuroscience research
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    Certification & Compliance
    More Introduction

    4,5-Difluoro-2-Methylindole: Crafting Reliability and Precision from the Manufacturer’s Perspective

    A Close Look at 4,5-Difluoro-2-Methylindole

    As a manufacturer who has navigated the ebbs and flows of the specialty chemicals market, introducing a compound like 4,5-Difluoro-2-Methylindole brings more than a product—it introduces a story of research, precision, and measurable value for our partners in pharmaceutical synthesis and materials science. Decades of fine-tuning our production methods have allowed us to isolate and deliver this compound with properties that match both the technical expectations and the evolving realities of advanced organic synthesis.

    Understanding the Core: Model, Purity, and Batch Consistency

    Chemists often ask for details on the model or batch number, looking for repeatable quality between orders. At our plant, we assign clear tracking to every lot, each tied back to rigorous QC records and real-time analytical logs. Through gas chromatography and NMR analysis, every batch of 4,5-Difluoro-2-Methylindole achieves a stated purity benchmark— in most instances surpassing the 98% mark without relying on additional post-production purification. Physical form matters: we crystallize material to ease weighing and preparation in bench-scale reactions, reducing static or unwanted dust for easier handling in the lab or pilot plant.

    Getting the melting range sharp isn’t just a selling point; it directly aids synthetic chemists—especially those at the stage of assessing a substrate for reactivity, stability, or formulation. By controlling conditions meticulously through late-stage synthesis, we see that the melting point rarely drifts batch-to-batch. Stability in storage also matters. In sealed packaging made from inert polymer, protected from light and ambient moisture, 4,5-Difluoro-2-Methylindole resists decomposition under standard warehouse conditions for months, even up to a year, without noticeable degradation.

    Fit for Modern Synthesis: Real-World Usage and Relevance

    While many lab catalogs feature common indoles, the two fluorine atoms at the 4 and 5 positions paired with a methyl group at the 2-position create opportunities for reactivity not found in unsubstituted indole. Those running medicinal chemistry campaigns in search of improved receptor selectivity or metabolic stability have highlighted this specific substitution pattern. Fluorine’s small atomic radius and strong carbon-fluorine bond allow medicinal chemists to tune electronic effects at adjacent positions or even block sites prone to metabolic oxidation.

    In our own experience, customer feedback comes from groups exploring kinase inhibitors, serotonin receptor agonists, or even next-generation OLED materials. The methyl group at position 2 doesn’t just help with steric protection; it shifts electron density, alters the molecule’s reactivity, and serves as a key site for further functionalization by alkylation or cross-coupling.

    Our own R&D lab uses 4,5-Difluoro-2-Methylindole as a scaffold for Suzuki couplings and palladium-mediated aminations. The difluoro substitution often lowers the pKa of the NH group, opening new routes for N-alkylation or acylation that aren’t as straightforward with other indole derivatives. Yield improvement, cleaner reactions, and fewer side products have been consistent findings—we attribute this partly to the enhanced selectivity fluorine brings when placed judiciously on the aromatic ring.

    Hands-on Process: Synthesis and Quality Challenges

    Not every facility can handle the synthesis of highly fluorinated aromatics. In producing 4,5-Difluoro-2-Methylindole, we commit to full in-house control from the earliest stages, often starting with carefully sourced fluoroanilines. Our process avoids problematic reagents or metallic contaminants, reflecting lessons learned during scale-up and continuous improvement. Scaleable yields and safety are intertwined. Our worker safety record remains solid because handling fluorinating agents or methyl transfer steps requires process-specific safety protocols—real-time monitoring and in-process sampling play a role in every batch.

    Often, chemists find unknowns or unwanted byproducts with off-the-shelf indole analogues. We report and document all trace impurities above 0.1%, not just at the request of customers but because it directly ties to reproducibility in your lab. The number of stories we could tell about projects derailed by hidden impurities is large. Researchers who share their results back with us benefit from our willingness to adapt synthesis parameters or purification steps—sometimes minor tweaks cascade into significant downstream performance gains, especially in scale-up environments.

    Distinctiveness Compared to Other Indoles

    Comparisons with conventional indoles spot important contrasts. 2-Methylindole and its monofluorinated cousins have a softer electronic profile; they react differently in directed ortho-lithiation, Friedel-Crafts, or nucleophilic aromatic substitution (SNAr) reactions. With 4,5-Difluoro-2-Methylindole, two fluorines pull electron density from the aromatic ring, shifting reactivity away from electrophilic sites. These effects aren’t just theoretical. Reactions run faster, sometimes at room temperature, and halogen–arene cross-coupling protocols often work with milder bases.

    Stability against atmospheric moisture or low-level light is improved by the fluorine atoms, which reduce the rate of oxidative side reactions. Not all indoles fare equally well on this point; experience tells us that heterocycles without fluorines can yellow or decompose if exposure is prolonged. Pack the product right, store at modest temperatures in a dry place, and you can expect shelf-life performance well beyond some standard indoles.

    Solubility shifts, too. The difluoro substitution pattern introduces a balance between polar and non-polar solvents, making it compatible with the kinds of mixed solvent systems used in medicinal library synthesis or material science pilot projects.

    This distinctive profile—alongside fine-tuned batch purity that doesn’t require further reprocessing by the end user—often means our compound saves chemists several cycles of in-lab purification steps, reducing time-to-result and improving reproducibility from test tube to kilo scale.

    Deploying in R&D: Insights from the User’s Side of the Bench

    Conversations with R&D customers point to real-world wins and challenges. One pharmaceutical group advancing small-molecule CNS candidates highlighted the lower metabolic turnover in liver microsome studies achieved with the difluoro motif. Others have leveraged the increased resistance to oxidative stress, crucial during formulation or accelerated stability studies. We’ve seen teams deliver more robust lead optimization programs using the unique balance of hydrophobicity and electronic withdrawal in our product.

    Challenges arise, too. Certain synthetic pathways demand control over regioselectivity—especially with further functionalization at the 3- or 7-positions. Not all reaction conditions behave as predicted from literature: solvents, temperature, or metal catalysts interact differently with the difluoro-methylindole system than with simple indoles. We supply technical data from our own method development, and regularly troubleshoot side-by-side with synthetic teams. If selectivity proves elusive, alternative protection strategies or catalyst choices, based on our accrued know-how, often yield better results than trial-and-error alone.

    Reducing the Burden of Downstream Processing

    In a climate where lab productivity is king, purchasing compounds requiring multiple rounds of repurification drains budgets and timelines. Our batches leave the factory with documentation on water content, residual solvents, and trace metals. Chemists avoid unpredictable variability and focus instead on researching the science, not cleaning up avoidable impurities.

    Precise weighing is easier because we deliver in standard containers with ergonomic access, minimizing static and transfer loss. Analysts see lower blank corrections due to reduced lot-to-lot contamination. In multi-step syntheses, where yields compound across several reactions, this matters—especially on programs racing against patent windows.

    Limitations and Realistic Use Cases

    No compound meets every need. Sometimes, high electron density is required, favoring plain indoles without fluorine. Others might need ortho- or para-methyl patterns for specific protein binding motifs. Our 4,5-Difluoro-2-Methylindole excels in cases where metabolic stability, robust shelf life, and reactivity tuning rank highest. The feedback loop between field researchers and our own applications group means we stay grounded about the real limitations—solubility under strongly basic aqueous conditions is one constraint; intolerance to very aggressive oxidizing conditions is another.

    Partnering with downstream manufacturers in custom API synthesis or functional materials, we supply application notes based on worked-up case studies, rational solvent recommendations, and tips on recrystallization or handling at scale. Not every route is magic; some require iteration. But that’s the nature of pushing the boundaries in advanced chemistry.

    Practical Solutions for Workflow Efficiency

    Communication across the supply chain makes a difference. Getting a rapid technical response when things go sideways ranks higher than shipping speed or glossy datasheets. By embedding production chemists into the customer support team, we provide the kind of answers that can only come from someone who’s run the reaction themselves—how the product behaves in THF at -78°C, or the thermal stability during transmetalation steps with tough nucleophiles.

    Offering the compound in pack sizes suitable for both gram and kilogram users cuts down repackaging waste and risk of decomposition from repeated container opening. Years ago, feedback from a medicinal chemistry group led to our double-sealed, light-resistant packs; fewer incidents of product clumping or yellowing followed—a direct response to someone else's real pain points.

    We invest in redundant purity checks before clearing any material for international shipment. If a rare outlier emerges, corrections happen before it reaches your shelf. It’s not about zero-defect guarantees, but about responsible supply and quick, honest resolution—something only a manufacturer attuned to their own process can truly deliver.

    Broader Context: Sustainability and Regulatory Confidence

    The pressure to improve sustainability in chemical manufacturing never lets up. Sourcing raw materials at scale, reducing solvent waste, and capturing energy from exothermic steps keep evolving. In producing 4,5-Difluoro-2-Methylindole, we transitioned away from legacy halogenated solvents, now using greener alternatives or recovery loops wherever possible. Solvent distillate streams are recycled; spent reagents get routed to certified waste treatment, not the drain.

    Customers, especially in pharma and electronics, demand not only high-performance molecules but documented compliance—be it REACH, TSCA, or other relevant regulations. We keep binders of compliance certifications and reverify annually, mindful that regulatory environments shift. This confidence stems not from paperwork alone, but from full visibility into our manufacturing and analytical records, which are open to audit and inspection. No grey market or intermediaries, just transparent, unbroken chain of custody.

    On the worker safety front, we adopted closed-transfer systems early and swapped out manual handling protocols for automated weighing and drum loading. Minor investments in health monitoring and training reap returns not just in reduced incidents, but in staff retention and engagement. The crew extracting five kilos today have been with us for years, offering their practical know-how back to product improvement.

    Looking Ahead: The Value of In-House Production Know-How

    Some customers ask whether being the manufacturer changes what you can deliver in terms of value. The difference shows up not just in the document trail or the steel tanks, but in the nuance—the willingness to modify the route, to answer weird technical queries, to troubleshoot an obscure byproduct, or to tweak particle morphology on the next campaign.

    Having the reactor at hand, the ability to run parallel method development, and a team who knows every valve and stirrer, means we don’t just sell the compound—we share the process. The relationship goes both ways: every challenge or bottleneck raised by a user feeds back into our process development, tightening specs or finding cost savings that all customers can benefit from.

    Current R&D aims to further lower impurity profiles and increase yields, especially on multi-kilo runs. Small changes in catalyst addition or temperature ramps often yield surprising gains. Instead of staying static, we stay on our toes, anticipating what quality or regulatory demands the next year may bring.

    Direct Dialogue Over Hype

    As direct manufacturers, we prefer the directness of an honest technical exchange over slick sales pitches or exaggerated “game-changing” claims. The way a compound like 4,5-Difluoro-2-Methylindole performs in your real-world synthesis matters more than anything stamped on a brochure.

    Sharing in your workflow, reducing friction, and keeping open the channel for both positive feedback and constructive criticism push all of us forward. In our view, the right compound, produced with attention and understanding, not only solves a synthetic challenge but earns its place as a vital tool in the hands of those building the next breakthrough.

    Every batch reflects the lessons of past runs and the insights shared by partners and researchers on the receiving end. This ongoing story of refinement and responsiveness—never finished, always improving—forms the real backbone behind the name 4,5-Difluoro-2-Methylindole, as we see it from the factory floor and the R&D desk alike.