105184-38-1

Basic information

• Product Name: 3,5-Difluorophenylacetic acid
• Synonyms: 3,5-DIFLUOROPHENYLACETIC ACID;2-(3,5-DIFLUOROPHENYL)ACETIC ACID;RARECHEM AL BO 0631;TIMTEC-BB SBB006660;3,5-Difluorophenylacetic acid 99%;3,5-Difluorophenylaceticacid99%;3,5-Difluorophenylac;3,5-Difluorobenzeneaceticacid
• CAS NO: 105184-38-1
• Molecular Formula: C₈H₆F₂O₂
• Molecular Weight: 172.13
• EINECS: -0
• Product Categories: Phenylacetic acid series;Aromatic Phenylacetic Acids and Derivatives;Phenylacetic acid;Miscellaneous;C8;Carbonyl Compounds;Carboxylic Acids;Fluorine series;Pyridines ,Heterocyclic Acids
• Mol File: 105184-38-1.mol
• Article Data: 4

Chemical Properties

• Melting Point: 68-70 °C(lit.)
• Boiling Point: 219°C (rough estimate)
• Flash Point: 102 °C
• Appearance: white solid
• Density: 1.3010 (estimate)
• Vapor Pressure: 0.0241mmHg at 25°C
• Refractive Index: 1.57
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 3.90±0.10(Predicted)
• BRN: 3605064
• CAS DataBase Reference: 3,5-Difluorophenylacetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Difluorophenylacetic acid(105184-38-1)
• EPA Substance Registry System: 3,5-Difluorophenylacetic acid(105184-38-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-36/37/39-22-22/26/36/37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 105184-38-1(Hazardous Substances Data)

Usage

Description

3,5-Difluorophenylacetic acid is an important pharmaceutical intermediate, characterized as a light yellow crystalline powder. It is a derivative of phenylacetic acid with two fluorine atoms substituted at the 3rd and 5th positions on the phenyl ring, which imparts unique chemical and biological properties to the molecule.

Uses

Used in Pharmaceutical Industry:
3,5-Difluorophenylacetic acid is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with improved potency and selectivity.
Used in Biological Research:
3,5-Difluorophenylacetic acid is used as a research tool in the study of the inhibition of penicillin biosynthetic enzymes by phenylacetic acid halogen derivatives. This helps in understanding the mechanisms of action and potential applications in antibiotic development.
Used in Cancer Research:
3,5-Difluorophenylacetic acid is used in the preparation and in vitro cytotoxic activities of sorafenib derivatives. Sorafenib is a kinase inhibitor used in the treatment of various cancers, and the study of its derivatives can lead to the discovery of more effective anticancer agents.
Used in Peptide Synthesis:
3,5-Difluorophenylacetic acid is used in the synthesis of N-[N-(3,5-difluorophenylacetyl)-L-alanyl]-L-phenylglycine tert-butyl ester and N-acylalanine. These compounds have potential applications in the development of novel peptide-based drugs and therapeutic agents.

InChI:InChI=1/C7H5F3IN/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,12H2

Upstream product

• 372-38-3 1,3,5-trifluorobenzene 
• 124-38-9 carbon dioxide 
• 163733-96-8 3,4,5-trifluoro aniline 
• 210530-70-4 methyl 2-(3,5-difluorophenyl)acetate 

Downstream Products

• 172366-38-0 5,7-difluoro-3,4-dihydro-2(1H)-naphthalenone 
• 924369-63-1 methyl N-[(4'-{[(3,5-difluorophenyl)acetyl]amino}-1,1'-biphenyl-4-yl)sulfonyl]-N-methyl-L-valinate 
• 423757-30-6 3,5-difluorophenylacetyl-Gly-OH 
• 210530-70-4 methyl 2-(3,5-difluorophenyl)acetate 
• 797784-29-3 2-(3,5-difluorophenyl)acetic hydrazide 
• 213025-22-0 1-tert-butoxycarbonyl-2-[1-(3,5-difluorophenylacetamido)ethyl]-4-methoxycarbonyl-4-phenylmethyl-2-imidazoline 
• 213025-08-2 1-tert-Butoxycarbonyl-2-[1-(3,5-difluorophenylacetamido)ethyl]-4-methoxycarbonyl-4-phenyl-2-imidazoline 
• 154317-10-9 3-(3',5'-difluorobenzylidene)phthalide 
• 927672-04-6 2-(3,5-difluoro-phenyl)-N-[2-(2,6-dioxo-piperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-ylmethyl]-acetamide 
• 208255-34-9 (S)-2-{(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-propionylamino}-3-phenyl-propionic acid methyl ester 
• 127035-82-9 4-[(E)-2-(3,5-Difluoro-phenyl)-vinyl]-2,6-dimethyl-phenol 
• 139368-37-9 ethyl 2-(3,5-difluorophenyl)acetate 
• 1276020-72-4 CF₀₈₂ 

Relevant articles and documents

Desulfonylative Electrocarboxylation with Carbon Dioxide

Electrocarboxylation of organic halides is one of the most investigated electrochemical approaches for converting thermodynamically inert carbon dioxide (CO2) into value-added carboxylic acids. By converting organic halides into their sulfone derivatives, we have developed a highly efficient electrochemical desulfonylative carboxylation protocol. Such a strategy takes advantage of CO2as the abundant C1 building block for the facile preparation of multifunctionalized carboxylic acids, including the nonsteroidal anti-inflammatory drug ibuprofen, under mild reaction conditions.

Preparation method of fluorophenylacetic acid

The invention relates to the field of chemical synthesis, and particularly relates to a preparation method of fluorophenylacetic acid. The invention provides a preparation method of fluorophenylacetic acid. The preparation method comprises the following steps: diazotization addition reaction: enabling a compound of the formula II to react in a system containing vinylidene chloride, acid, a diazonino reagent, a phase transfer catalyst and a copper catalyst to produce a compound of the formula III; and hydrolysis reaction: hydrolyzing the compound of the formula III to produce a compound of the formula I under the existence condition of acid. The preparation method is simply and easily available in raw materials, simple and convenient to operate, low in raw material cost, mild in reaction conditions, and low in danger, free from the use of high-price noble metal catalyst and complicated industrial operation means, and the quality of the product is stable, and therefore, the preparation method is suitable for industrial large-scale production.