360-03-2

Basic information

• Product Name: 2,3-Difluorophenylacetic acid
• Synonyms: DIFLUORO(PHENYL)ACETIC ACID;2,2-DIFLUORO-2-PHENYLACETIC ACID;A,A-DIFLUOROPHENYLACETIC ACID;ALPHA,ALPHA-DIFLUOROPHENYLACETIC ACID;alpha-Difluoro-benzeneacetic acid;2,3-DIFLUOROPHENYLACETIC ACID 95+%;2,3-Difluorophenylacetic acid;2,3-DIFLUUOROPHENYL ACETIC ACID
• CAS NO: 360-03-2
• Molecular Formula: C₈H₆F₂O₂
• Molecular Weight: 172.13
• Product Categories: Aromatic compound;Fluorobenzene;Miscellaneous;Aryl Fluorinated Building Blocks;Building Blocks;C8;C8-C12;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Fluorinated Building Blocks;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks
• Mol File: 360-03-2.mol
• Article Data: 13

Chemical Properties

• Melting Point: 76-77°C
• Boiling Point: 0°C
• Flash Point: 0°C
• Appearance: /
• Density: 1.373 g/cm³
• Vapor Pressure: 0.00976mmHg at 25°C
• Refractive Index: 1.491
• Storage Temp.: Refrigerator, Under inert atmosphere
• Solubility: Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly)
• PKA: 1.04±0.10(Predicted)
• CAS DataBase Reference: 2,3-Difluorophenylacetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-Difluorophenylacetic acid(360-03-2)
• EPA Substance Registry System: 2,3-Difluorophenylacetic acid(360-03-2)

Safety Data

• Hazard Codes: C,Xi,Xn
• Statements: 36/37/38
• Safety Statements: 26-36-36/37-36/37/39
• RIDADR: UN3261
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 360-03-2(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powde

InChI:InChI=1/C8H6F2O2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H,(H,11,12)

Upstream product

• 383-19-7 2,2-difluoro-2-phenylacetamide 
• 38383-65-2 (1,1,2-Trifluoro-allyl)-benzene 
• 2248-46-6 ethyl 2,2-difluoro-2-phenylacetate 
• 134918-41-5 epoxide of α,β,β-trifluorostyrene 
• 447-14-3 1,2,2-trifluorostyrene 
• 38383-63-0 ((E)-3-Bromo-1,2-difluoro-propenyl)-benzene 
• 1737-02-6 1.2-Difluor-1-phenyl-propen-⁽¹⁾ 
• 1603-79-8 phenylglyoxylic acid ethyl ester 
• 40626-45-7 α,α-dichlorobenzylcyanide 
• 2002-72-4 α,α-difluorobenzeneacetonitrile 
• 124-38-9 carbon dioxide 
• 98-08-8 α,α,α-trifluorotoluene 
• 4861-85-2 isopropyl phenylacetate 
• 4606-15-9 propyl phenylacetate 

Downstream Products

• 312-24-3 difluoro-phenyl-acetyl chloride 
• 650-93-1 2,2-difluoro-2-(3-nitrophenyl)acetic acid 
• 402-03-9 (3-amino-phenyl)-difluoro-acetic acid 
• 2248-46-6 ethyl 2,2-difluoro-2-phenylacetate 
• 339-30-0 2,2-difluoro-N-2-diphenylacetamide 
• 762299-43-4 N-{3-[1-(3-{[DIFLUORO(PHENYL)ACETYL]AMINO}PROPYL)-4-PIPERIDINYL]-4-METHYLPHENYL}-2-METHYLPROPANAMIDE 
• 762299-67-2 N-{3-[1-(3-{[DIFLUORO(PHENYL)ACETYL]AMINO}PROPYL)-4-PIPERIDINYL]-4-FLUOROPHENYL}-2-METHYLPROPANAMIDE 
• 324046-16-4 2-(difluoro(phenyl)methyl)-1H-benzo[d]imidazole 
• 129973-51-9 2,2-difluoro-2-phenylethan-1-ol 
• 1574401-91-4 ethyl 6-(difluoro(phenyl)methyl)nicotinate 
• 1581303-76-5 tert-butyl 4-((2-(2-(2,2-difluoro-2-phenylacetyl)hydrazinecarbonyl)benzo[b]thiophen-3-yl)oxy)piperidine-1-carboxylate 
• 425-32-1 1,1,2,2-tetrafluoro-1,2-diphenylethane 

Relevant articles and documents

Silver-catalyzed decarboxylative radical allylation of α,α-difluoroarylacetic acids for the construction of CF2-allyl bonds

An efficient silver-catalyzed method of decarboxylative radical allylation of α,α-difluoroarylacetic acids to build CF2-allyl bonds has been developed. Using allylsulfone as an allyl donor, α,α-difluorine substituted arylacetic acids bearing various functional groups are successfully allylated to access a series of 3-(α,α-difluorobenzyl)-1-propylene compounds in moderate to excellent yields in aqueous CH3CN solution under the mild conditions. Experimental studies disclosed that the α-fluorine substitution of arylacetic acid has a great influence on free radical activity and reactivity.

Copper-catalyzed cascade radical cyclization of alkynoates: Construction of aryldifluoromethylated coumarins

A mild and simple method is reported for the construction of 3-difluoroarylmethylated coumarins using α,α-difluoroarylacetic acids as an easily handled difluoromethyl source in reaction with ester 3-arylpropiolates under the promotion of copper. The reaction involves a proposed radical-triggered domino decarboxylative aryldifluoromethylation/5-exo cyclization/ester migration process that directly forms Csp2-CF2Ar and C-C bonds with good functional group tolerance. This journal is

Optimization and sustainability assessment of a continuous flow Ru-catalyzed ester hydrogenation for an important precursor of a β2-adrenergic receptor agonist

The development of a ruthenium-catalyzed continuous flow ester hydrogenation using hydrogen (H2) gas is reported. The reaction was utilized for the reduction of an important precursor in the synthesis of abediterol, a β2-adrenoceptor agonist that has undergone phase IIa clinical trials for the treatment of asthma and chronic obstructive pulmonary disorder. The reaction was investigated within a batch autoclave by using a design of experiments (DoE) approach to identify important parameter effects. The optimized flow process was successfully operated over 6 h with inline benchtop19F NMR spectroscopy for reaction monitoring. The protocol is shown to be high yielding (98% yield, 3.7 g h?1) with very low catalyst loading (0.065 mol%). The environmental impact of the Ru-catalyzed hydrogenation was assessed and compared to an existing stoichiometric lithium aluminum hydride (LAH) reduction and sodium borohydride (NaBH4) reduction. The process mass intensity (PMI) for the Ru-catalyzed hydrogenation (14) compared favorably to a LAH reduction (52) and NaBH4reduction (133).