Atomfair Benzoic acid, 3-fluoro-, methyl ester C8H7FO2

Description Benzoic acid, 3-fluoro-, methyl ester (CAS No. 455-68-5), also known as methyl 3-fluorobenzoate, is a high-purity fluorinated aromatic ester with the molecular formula C8H7FO2. This compound is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its structure features a fluorine atom at the meta position of the benzene ring, enhancing its reactivity for electrophilic substitution and cross-coupling reactions. With a molecular weight of 154.14 g/mol, it is a clear to pale-yellow liquid under standard conditions, offering excellent solubility in common organic solvents like dichloromethane, ethanol, and dimethyl sulfoxide (DMSO). Ideal for researchers requiring precise…

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Description

Description

Benzoic acid, 3-fluoro-, methyl ester (CAS No. 455-68-5), also known as methyl 3-fluorobenzoate, is a high-purity fluorinated aromatic ester with the molecular formula C8H7FO2. This compound is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its structure features a fluorine atom at the meta position of the benzene ring, enhancing its reactivity for electrophilic substitution and cross-coupling reactions. With a molecular weight of 154.14 g/mol, it is a clear to pale-yellow liquid under standard conditions, offering excellent solubility in common organic solvents like dichloromethane, ethanol, and dimethyl sulfoxide (DMSO). Ideal for researchers requiring precise fluorinated intermediates, this product is rigorously tested for purity (typically ??98% by GC) and is supplied in sealed, light-resistant containers to ensure stability.

  • CAS No: 455-68-5
  • Molecular Formula: C8H7FO2
  • Molecular Weight: 154.14
  • Exact Mass: 154.04300762
  • Monoisotopic Mass: 154.04300762
  • IUPAC Name: methyl 3-fluorobenzoate
  • SMILES: COC(=O)C1=CC(=CC=C1)F
  • Synonyms: Methyl 3-fluorobenzoate, benzoic acid, 3-fluoro-, methyl ester, 3-Fluorobenzoic acid, methyl ester, 3-F-C6H4-COOCH3, DTXSID00334579

Application

Methyl 3-fluorobenzoate is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals, including potential kinase inhibitors and anti-inflammatory agents. Its meta-fluorine substitution makes it valuable for studying structure-activity relationships (SAR) in drug design. Additionally, it serves as a precursor in the production of liquid crystals and specialty polymers. Researchers also employ it in palladium-catalyzed cross-coupling reactions, such as Suzuki-Miyaura couplings, to introduce fluorinated aromatic motifs into complex molecules.

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