2,3-Difluorophenylacetic acid

Base Information

• Chemical Name: 2,3-Difluorophenylacetic acid
• CAS No.: 145689-41-4
• Molecular Formula: C8H6F2O2
• Molecular Weight: 172.131
• Hs Code.: 29163990
• European Community (EC) Number: 927-726-9,642-544-7
• DSSTox Substance ID: DTXSID20334455
• Nikkaji Number: J905.528B
• Wikidata: Q72463687
• Mol file: 145689-41-4.mol

Synonyms:2,3-Difluorophenylacetic acid;145689-41-4;2-(2,3-difluorophenyl)acetic acid;Benzeneacetic acid, 2,3-difluoro-;(2,3-difluorophenyl)acetic acid;MFCD00040968;2,3-DIFLUOROBENZENEACETIC ACID;SCHEMBL723768;DTXSID20334455;(2,3-difluoro-phenyl)acetic acid;(2,3-difluorophenyl)-acetic acid;BCP27245;2,3-Difluorophenylacetic acid, 97%;AKOS005145831;AC-1066;CS-W002195;PS-8680;BP-12749;SY005482;AM20060800;D3889;FT-0609622;FT-0609623;EN300-100654;J-008137;Z445167096;2,3-DIFLUOROPHENYLACETIC ACID

Chemical Property of 2,3-Difluorophenylacetic acid

Chemical Property:

• Vapor Pressure: 0.00976mmHg at 25°C
• Melting Point: 116-119 °C
• Refractive Index: 1.491
• Boiling Point: 258.1 °C at 760 mmHg
• PKA: 3.81±0.10(Predicted)
• Flash Point: 109.9 °C
• PSA: 37.30000
• Density: 1.373 g/cm³
• LogP: 1.59190
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.03358575
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

2,3-Difluorophenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)F)CC(=O)O
• Uses: 2,3-Difluorophenylacetic acid may be used in chemical synthesis.

Technology Process of 2,3-Difluorophenylacetic acid

There total 4 articles about 2,3-Difluorophenylacetic 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: 72.0%

methyl 2-(2,3-difluorophenyl)acetate (1036273-31-0) → 2-(2,3-difluorophenyl)acetic acid (145689-41-4)

Guidance literature:

methyl 2-(2,3-difluorophenyl)acetate; With sodium hydroxide; water; at 60 ℃; for 1h;

With hydrogenchloride; In water; pH=1;

Reference yield:

1,2,3-trifluorobenzene (1489-53-8) + ethyl 2-cyanoacetate (105-56-6) → 2,6-difluorophenylacetic acid (85068-28-6) + 2-(2,3-difluorophenyl)acetic acid (145689-41-4)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; sodium hydroxide; sodium hydride; Yield given. Multistep reaction. Yields of byproduct given;

DOI:10.1055/s-1997-1385

Reference yield:

1-(2,2,2-trichloroethyl)-2,3-difluorobenzene → 2-(2,3-difluorophenyl)acetic acid (145689-41-4)

Guidance literature:

With hydrogenchloride; water; at 80 - 95 ℃; for 8h; Inert atmosphere;

upstream raw materials:

1,2,3-trifluorobenzene

ethyl 2-cyanoacetate

methyl 2-(2,3-difluorophenyl)acetate

2,3-difluoroanilline

Downstream raw materials:

2-(2,3-Difluoro-phenyl)-1-[2-(2,5-dihydro-pyrrole-1-carbonyl)-1H-imidazol-4-yl]-ethanone

2-(2,3-difluoro-6-nitrophenyl)acetic acid

(2,3-difluoro-5-nitrophenyl)acetic acid

1-(4-(2-(2-(2,3-difluorophenylacetyl)hydrazinocarbonyl)pyridine-4-yloxy)phenyl)-3-(4-chloro-3-trifluoromethylphenyl)urea

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF FLUOROPHENYLACETIC ACIDS AND DERIVATIVES THEREOF". Page/Page column 23. . Retrieved 2008/12/06.