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tert-Butyl 3-Fluoro-4-Methylbenzoate CAS NO 866625-11-8


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CAS No.:866625-11-8

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

tert-Butyl 3-Fluoro-4-Methylbenzoate is a high-purity, synthetically valuable benzoate ester derivative, serving as a crucial protected intermediate in advanced organic synthesis. Its core value lies in providing a versatile building block for constructing complex molecules, particularly in pharmaceutical research and development. This compound is essential for medicinal chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries who require reliable, high-quality intermediates for API synthesis and fine chemical manufacturing.

Application

  • Pharmaceutical Intermediate: A key protected carboxylic acid precursor in the multi-step synthesis of active pharmaceutical ingredients (APIs), especially those containing fluorinated aromatic systems.
  • Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides where the 3-fluoro-4-methylbenzoate moiety is a structural component.
  • Ligand and Catalyst Development: Serves as a starting material for synthesizing specialized ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
  • Material Science Precursor: Employed in the development of advanced polymers, liquid crystals, and organic electronic materials requiring fluorinated aromatic monomers.
  • Custom Synthesis and Contract Manufacturing: A critical reagent for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) producing tailored compounds for client projects.
  • Academic and R&D Laboratories: Utilized in university and corporate research settings for methodological development and exploring new chemical reactions involving fluorinated esters.

Basic Information

Product Name tert-Butyl 3-Fluoro-4-Methylbenzoate
CAS No. 866625-11-8
Molecular Formula C12H15FO2
Molecular Weight 210.24 g/mol
Synonyms 3-Fluoro-4-methylbenzoic acid tert-butyl ester; tert-Butyl 3-fluoro-p-toluate; Benzoic acid, 3-fluoro-4-methyl-, 1,1-dimethylethyl ester; 1,1-Dimethylethyl 3-fluoro-4-methylbenzoate; 3-Fluoro-4-methyl-benzoic acid tert-butyl ester; t-Butyl 3-fluoro-4-methylbenzoate; TB-3F4MB
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Quality Control

Our tert-Butyl 3-Fluoro-4-Methylbenzoate is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity suitable for research and commercial synthesis. Each lot undergoes comprehensive analytical testing, including HPLC, GC, NMR, and mass spectrometry, to confirm identity and purity. A Certificate of Analysis (COA) detailing all specifications is provided with every shipment. We support compliance with REACH and other global regulatory frameworks as required.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). Keep away from strong acids and incompatible materials such as strong oxidizing agents. For long-term storage, consider maintaining under an inert atmosphere to preserve optimal quality.

Specification

Item Specification
Appearance Colorless to pale yellow liquid or low-melting solid
Identification (IR) Conforms to structure
Identification (NMR) Conforms to structure
Purity (HPLC/GC) ≥ 97.0% (Standard Grade)
Purity (HPLC/GC) ≥ 99.0% (High Purity Grade)
Water Content (KF) ≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.

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