2,2-Difluoro-2-phenylacetic acid

Base Information

• Chemical Name: 2,2-Difluoro-2-phenylacetic acid
• CAS No.: 360-03-2
• Molecular Formula: C8H6F2O2
• Molecular Weight: 172.131
• Hs Code.: 2916399090
• European Community (EC) Number: 623-610-4
• Nikkaji Number: J2.455.654I
• Wikidata: Q106902829
• Mol file: 360-03-2.mol

Synonyms:2,2-difluoro-2-phenylacetic acid;360-03-2;difluoro(phenyl)acetic acid;alpha,alpha-difluorophenylacetic acid;A,A-Difluorophenylacetic acid;MFCD00498146;alpha,alpha-difluorobenzeneacetic acid;Maybridge1_002109;2,2-Difluoro-2-phenylaceticacid;2,2-Difluoro-2-phenylacetic acid;Difluorophenylacetic acid;alpha,alpha-Difluorophenylacetic acid;PhCF2CO2H;difluorophenylacetic acid;difluoro-phenyl-acetic acid;,-Difluorobenzeneacetic acid;SCHEMBL354556;HMS547H19;Benzeneacetic acid, a,a-difluoro-;AMY14759;BBL100080;STL449247;AKOS001015550;AB06356;PS-8681;alpha , alpha -Difluorophenylacetic acid;alpha,alpha-Difluorophenylacetic acid, 97%;EN300-29700;J-506791;Z56770330;,-Difluorophenylacetic acid

Chemical Property of 2,2-Difluoro-2-phenylacetic acid

Chemical Property:

• Appearance/Colour: off-white powder
• Vapor Pressure: 0.00976mmHg at 25°C
• Melting Point: 76-77°C
• Refractive Index: 1.491
• Boiling Point: 258.1 °C at 760 mmHg
• PKA: 1.04±0.10(Predicted)
• Flash Point: 109.9 °C
• PSA: 37.30000
• Density: 1.373 g/cm³
• LogP: 1.86300
• Storage Temp.: Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.03358575
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99.90% ^*data from raw suppliers

2,2-Difluoro-2-phenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: C,Xi,Xn
• Statements: 36/37/38
• Safety Statements: 26-36-36/37-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C(=O)O)(F)F

Technology Process of 2,2-Difluoro-2-phenylacetic acid

There total 25 articles about 2,2-Difluoro-2-phenylacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

carbon dioxide (124-38-9,18923-20-1) + α,α,α-trifluorotoluene (98-08-8) → 2,2-Difluoro-2-phenylacetic acid (360-03-2)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; In N,N-dimethyl-formamide; at 0 ℃; Electrolysis;

DOI:10.1055/s-2008-1032069

Reference yield: 60.0%

phenylacetyl chloride (103-80-0) → 2,2-Difluoro-2-phenylacetic acid (360-03-2)

Guidance literature:

phenylacetyl chloride; With pyridine; tin(II) trifluoromethanesulfonate; Selectfluor; potassium tetrakis(pentafluorophenyl)borate; In acetonitrile; at 20 ℃; for 3h; Inert atmosphere;

With water; In acetonitrile; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ol2019295

Reference yield: 50.0%

ethyl 2,2-difluoro-2-phenylacetate (2248-46-6) → 2,2-Difluoro-2-phenylacetic acid (360-03-2)

Guidance literature:

With sodium hydroxide; at 25 ℃;

DOI:10.1021/jo01302a025

upstream raw materials:

2,2-difluoro-2-phenylacetamide

(1,1,2-Trifluoro-allyl)-benzene

ethyl 2,2-difluoro-2-phenylacetate

epoxide of α,β,β-trifluorostyrene

Downstream raw materials:

(3-amino-phenyl)-difluoro-acetic acid

ethyl 2,2-difluoro-2-phenylacetate

2,2-difluoro-N-2-diphenylacetamide

N-{3-[1-(3-{[DIFLUORO(PHENYL)ACETYL]AMINO}PROPYL)-4-PIPERIDINYL]-4-METHYLPHENYL}-2-METHYLPROPANAMIDE