Description

Methyl 2,2-difluoro-2-phenylacetate (CAS No. 56071-96-6) is a high-purity fluorinated ester compound with the molecular formula C₉H₈F₂O₂. This specialty chemical is widely utilized in pharmaceutical synthesis, agrochemical research, and advanced material development due to its unique difluorinated phenylacetate structure. Our product is rigorously tested to ensure >98% purity (GC) and is supplied in sealed, light-resistant containers under inert atmosphere to maintain stability. The compound’s reactive difluoroacetate moiety makes it a valuable building block for introducing fluorinated groups into target molecules. Researchers appreciate its consistent quality, batch-to-batch reproducibility, and comprehensive analytical documentation including GC-MS, ¹H NMR, and ¹³C NMR spectra. Available in quantities from 1g to 1kg with customizable packaging options.

Properties

• CAS Number: 56071-96-6
• Complexity: 186
• IUPAC Name: methyl 2,2-difluoro-2-phenyl-acetate
• InChI: InChI=1S/C9H8F2O2/c1-13-8(12)9(10,11)7-5-3-2-4-6-7/h2-6H,1H3
• InChI Key: VWHZGGBEUOYQJC-UHFFFAOYSA-N
• Exact Mass: 186.04923582
• Molecular Formula: C9H8F2O2
• Molecular Weight: 186.15
• SMILES: COC(=O)C(C1=CC=CC=C1)(F)F
• Topological: 26.3
• Monoisotopic Mass: 186.04923582
• Synonyms: 56071-96-6, METHYL 2,2-DIFLUORO-2-PHENYLACETATE, Methyl difluorophenylacetate, BENZENEACETIC ACID, A,A-DIFLUORO-, METHYL ESTER, METHYL DIFLUORO(PHENYL)ACETATE, methyl difluorophenylethanoate, SCHEMBL506922, A,A-DIFLUORO-BENZENEACETIC ACID METHYL ESTER, MFCD12031803, AB65304, Methyl alpha,alpha-difluorophenylacetate, a,a-Difluorobenzeneacetic acid methyl ester

Application

Methyl 2,2-difluoro-2-phenylacetate serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly protease inhibitors and CNS-active compounds. The difluoroacetate group enables efficient introduction of fluorine atoms to enhance metabolic stability and bioavailability in drug candidates. In material science, it’s employed as a precursor for fluorinated liquid crystals and specialty polymers. The compound also finds use in agrochemical research for developing novel pesticides with improved environmental persistence.

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