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5-(Bromomethyl)-4-(4-Fluorophenyl)-6-Isopropyl-2-[Methyl(Methylsulfonyl)Amino]Pyrimidine

    • Product Name 5-(Bromomethyl)-4-(4-Fluorophenyl)-6-Isopropyl-2-[Methyl(Methylsulfonyl)Amino]Pyrimidine
    • Alias BMS-986094
    • Einecs 688-405-9
    • 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
    VTB
    Specifications

    HS Code

    170502

    Iupac Name 5-(Bromomethyl)-4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine
    Molecular Formula C17H20BrFN4O2S
    Molecular Weight 443.34 g/mol
    Cas Number 866036-17-1
    Appearance White to off-white solid
    Solubility Slightly soluble in DMSO, poorly soluble in water
    Smiles CC(C)c1nc(cnc1N(C)S(=O)(=O)C)c2ccc(F)cc2CBr
    Inchi InChI=1S/C17H20BrFN4O2S/c1-11(2)16-21-15(10-19)14(12-4-6-13(18)7-5-12)23(3)26(24,25)22-16/h4-7,11H,8-10H2,1-3H3
    Boiling Point Decomposes before boiling
    Storage Conditions Store at 2-8°C, protect from light and moisture

    As an accredited 5-(Bromomethyl)-4-(4-Fluorophenyl)-6-Isopropyl-2-[Methyl(Methylsulfonyl)Amino]Pyrimidine factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing The chemical is packaged in a 25-gram amber glass bottle with a tamper-evident cap and clear hazard and identification labeling.
    Shipping The chemical 5-(Bromomethyl)-4-(4-Fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine is shipped in tightly sealed containers under ambient or recommended temperature, protected from moisture and light. Packaging adheres to all applicable hazardous materials regulations, with careful labeling for safe handling and compliance with international transport guidelines. Shipping documentation accompanies each batch.
    Storage Store 5-(Bromomethyl)-4-(4-Fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine in a tightly sealed container, away from light, moisture, and incompatible substances such as strong oxidizing agents. Keep in a cool, dry, well-ventilated chemical storage area. Ensure the area is equipped with appropriate spill containment and that only trained personnel have access. Store at recommended temperatures, typically below 25°C.
    Application of 5-(Bromomethyl)-4-(4-Fluorophenyl)-6-Isopropyl-2-[Methyl(Methylsulfonyl)Amino]Pyrimidine

    Applications of 5-(Bromomethyl)-4-(4-Fluorophenyl)-6-Isopropyl-2-[Methyl(Methylsulfonyl)Amino]Pyrimidine in Industrial Manufacturing

    Our advanced synthesis capacity supports bulk and specialty volume needs for 5-(Bromomethyl)-4-(4-Fluorophenyl)-6-Isopropyl-2-[Methyl(Methylsulfonyl)Amino]Pyrimidine. This pyrimidine-based intermediate plays a pivotal role across several industrial segments, especially within the agrochemical and pharmaceutical supply chains. Below, we outline key, verified downstream applications, along with regulatory considerations, technical requirements, and industry-specific details that guide our manufacturing partners’ processes.

    1. Selective Herbicide Active Ingredient Synthesis

    Agrochemical producers use this pyrimidine intermediate in the targeted synthesis of herbicidal actives, particularly those aimed at broadleaf weed control. It undergoes a critical coupling reaction in the construction of complex molecule backbones for next-generation selective herbicides. Integration into these workflows demands precision in handling due to the bromine and fluorine substitutions, which drive herbicidal specificity and crop tolerance profiles. This step typically occurs in the mid-stage of active compound derivatization, following upstream halogen exchange and prior to final side-chain installation.

    Industry compliance standards

    • FAO/WHO Specifications for Plant Protection Products
    • ISO 9001:2015 Quality Management Systems
    • REACH Annex XVII Compliance for Environment and Worker Safety
    • OECD Guidelines for the Testing of Chemicals

    Typical usage ratio

    • Employed at 0.5–2.3 molar equivalents relative to target active backbone. Reconciling ratio is based on ligand concentration and intended product throughput.

    Downstream process integration

    • Added after initial pyrimidine ring formation, serving as a building block for halogenated intermediates through Suzuki or Buchwald coupling stages.

    Final product types

    • Formulated granule and suspension concentrate herbicides for cereal, soy, and vegetable crops
    • Technical-grade herbicide bulk actives for toll manufacturers
    • Water-dispersible herbicide mixtures
    • Pre-mix herbicide blends for integrated weed management

    2. Pharmaceutical API Intermediate for Oncology Therapies

    Innovator and generic drug manufacturers select this compound as an advanced intermediate for synthesizing kinase inhibitor APIs used in targeted cancer therapies. The pyrimidine scaffold, with its specific halogen and sulfonyl-methyl modifications, enables unique receptor binding profiles in final pharmaceutical actives. Manufacturers introduce the intermediate following ring closure and before final API derivatization, ensuring high purity and consistent lot-to-lot identity to meet stringent drug master file (DMF) requirements. Controlled reactions minimize potential impurities and align with cGMP batch production protocols.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • 21 CFR Part 211 (US FDA cGMP Regulations)
    • European Pharmacopoeia Monograph 04/2019:1235
    • DMF submission regulations (US, EU)

    Typical usage ratio

    • Intermediate concentration typically varies from 0.8 to 1.1 molar equivalents relative to final API core. Ratio adjustment is based on downstream derivatization efficiency and impurity control.

    Downstream process integration

    • Introduced after ring-closing condensation, prior to heterocycle side-chain modification steps. Handled in closed-reactor systems with online HPLC monitoring.

    Final product types

    • Small-molecule kinase inhibitor bulk APIs
    • Oral solid-dose oncology formulations (film-coated tablets, capsules)
    • IV-injectable oncology drug products
    • Co-packaged combination oncology treatments

    3. Crop Protection Fungicide Intermediate Manufacture

    Formulators in the crop protection industry apply this bromomethylated pyrimidine derivative as a chemoselective synthon for developing new triazole and strobilurin fungicides. Its integration within the late-stage synthetic step allows for functional anchoring of active pharmacophores, boosting microbial inhibition without harming target crops. The process often incorporates the compound by direct alkylation or nucleophilic aromatic substitution post-core assembly, ensuring enhanced biological activity in the final molecule.

    Industry compliance standards

    • EPA 40 CFR Part 180 (US Tolerances for Pesticide Residues in Food)
    • ISO 17025 Laboratory Accreditation (for analytical verification)
    • Japanese Agricultural Standard (JAS) for Crop Protectants
    • REACH Substances of Very High Concern (SVHC) Inventory

    Typical usage ratio

    • Standard addition rate is 1.0–1.7 molar equivalents, modulated to optimize yield of target fungicidal core and minimize byproduct formation during oxidative coupling.

    Downstream process integration

    • Fed into stirred tank reactors immediately after constructing the phenyl core. Post-reaction, byproduct clean-up involves phase separation and crystallization steps.

    Final product types

    • Concentrated fungicidal active ingredients (AIs)
    • Emulsifiable fungicide concentrates for horticulture
    • Seed-coating fungicidal solutions
    • Fungicide-insecticide pre-mix granules

    4. Pharmaceutical Diagnostic Reagent Synthesis

    Producers of specialized diagnostic kits employ this compound to synthesize radiolabeled and fluorophore-tagged pyrimidine markers for use in clinical and research imaging. Its unique structure facilitates rapid incorporation of isotopic or fluorescent tags, especially at the bromomethyl and fluorophenyl positions, critical for assay sensitivity and specificity. Chemists perform these modifications immediately prior to conjugation with bioactive targets, adhering to precise stoichiometric controls to achieve high-purity tracers for regulated diagnostic use.

    Industry compliance standards

    • USP General Chapter <823> Radiopharmaceuticals for Positron Emission Tomography
    • ISO 13485 Medical Devices–Quality Management Systems
    • CLSI C62-A Guidelines for Laboratory Quality Assurance
    • EU Regulation 2017/746 (In Vitro Diagnostic Medical Devices)

    Typical usage ratio

    • Utilized at 1.2–1.5 molar equivalents relative to labeling agent or coupling partner. Titrated based on radioactivity or fluorophore concentration needed for end-application.

    Downstream process integration

    • Integrated as a late-stage functional scaffold. Tagging performed prior to high-performance liquid chromatography purification, and followed by sterile filtration for diagnostic use.

    Final product types

    • PET/SPECT tracer kits for oncology and neurology imaging
    • Enzyme-linked immunosorbent assay (ELISA) detection reagents
    • Fluorescently labeled molecular probes
    • Biomedical research reagents for molecular diagnostics

    5. Advanced Material Synthesis for Electronic Chemical Manufacturing

    Specialty chemical producers utilize this pyrimidine raw material when engineering specific organic electronic intermediates, such as charge-transport layers and dopants for display and sensor applications. The compound’s functionalized core structure, including bromomethyl and fluorophenyl groups, supports electronic property tuning at the molecular level. Downstream integration usually involves palladium-catalyzed cross-coupling reactions, ensuring molecular homogeneity required for devices like OLEDs and organic solar cells.

    Industry compliance standards

    • SEMI C3-0709 Specifications for High Purity Chemicals Used in Semiconductor & Display Manufacturing
    • RoHS Directive 2011/65/EU for Electronic Chemicals
    • ISO 14001:2015 (Environmental Management Systems for Chemical Processes)
    • IEC 60749 (Testing for Semiconductor Devices)

    Typical usage ratio

    • Introduced at 0.4–1.0 molar equivalents, determined by the desired molecular configuration of the resulting electronic functional layer or semiconductor additive.

    Downstream process integration

    • Added during solution-phase synthesis for organic thin-film material precursors. Followed by purification via vacuum distillation or recrystallization for device fabrication readiness.

    Final product types

    • Organic transistor materials for thin-film transistor (TFT) arrays
    • OLED device layers (hole and electron transport)
    • Organic photovoltaic active layers
    • Sensing element components for gas and biosensor devices
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