2-Fluorophenylacetic acid

Base Information

• Chemical Name: 2-Fluorophenylacetic acid
• CAS No.: 451-82-1
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29163990
• European Community (EC) Number: 207-196-9
• NSC Number: 401
• UNII: X2W3C5ER3N
• DSSTox Substance ID: DTXSID1060007
• Nikkaji Number: J196.148I
• Wikidata: Q72475635
• Mol file: 451-82-1.mol

Synonyms:2-Fluorophenylacetic acid;451-82-1;2-(2-fluorophenyl)acetic acid;o-Fluorophenylacetic acid;Benzeneacetic acid, 2-fluoro-;MFCD00004315;Acetic acid, (o-fluorophenyl)-;2-fluorobenzeneacetic acid;2-Fluorophenyl acetic acid;(2-fluorophenyl)acetic acid;X2W3C5ER3N;AI3-52626;NSC 401;NSC-401;EINECS 207-196-9;2Fluorophenylacetic acid;UNII-X2W3C5ER3N;SCHEMBL8645;NSC401;DTXSID1060007;2-Fluorophenylacetic acid, 98%;BDBM16422;AMY8707;STL169023;AKOS000120439;AC-2853;BS-3849;CS-W020118;SY003125;F0205;FT-0612447;EN300-21358;A22006;F-6370;F2191-0060;Z104495526

Chemical Property of 2-Fluorophenylacetic acid

Chemical Property:

• Appearance/Colour: white to off-white shiny crystals or crystalline
• Vapor Pressure: 0.00656mmHg at 25°C
• Melting Point: 60-62 °C(lit.)
• Boiling Point: 259.6 °C at 760 mmHg
• PKA: 4.01±0.10(Predicted)
• Flash Point: 110.8 °C
• PSA: 37.30000
• Density: 1.272 g/cm³
• LogP: 1.45280
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.04300762
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

2-FluorobenzeneaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38-36/37/38
• Safety Statements: 22-24/25-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC(=O)O)F
• Uses: 2-Fluorophenylacetic acid was used: in the synthesis of thiazolino[3,2-c]pyrimidin-5,7-diones and N-[2-(3,4-dichlorophenyl)-ethyl]-N′-[2-(2-fluorophenyl)-ethyl]-ethane-1,2-diamineas chiral derivatizing agent for determination of enantiomeric composition of chiral, nonracemic compounds by 19F NMR spectroscopy

Technology Process of 2-Fluorophenylacetic acid

There total 14 articles about 2-Fluorophenylacetic 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: 100.0%

2-fluorophenol (367-12-4) → (2-fluorophenyl)acetic acid (451-82-1)

Guidance literature:

With sodium hydroxide; acetic anhydride;

Reference yield: 91.0%

2-fluoro-N-(2,3,4,6-tetra-O-pivaloyl-D-glucopyranosyl)phenylglycinonitrile → (2-fluorophenyl)acetic acid (451-82-1) + N-(2,3,4,6-tetra-O-pivaloyl-D-glucopyranosyl)amine (888963-33-5)

Guidance literature:

With hydrogen bromide; acetic acid; In dichloromethane; water; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2005.03.095

Reference yield: 86.0%

carbon monoxide (201230-82-2) + 2-fluorobenzyl chloride (345-35-7) → (2-fluorophenyl)acetic acid (451-82-1)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; tetraethylammonium chloride; sodium hydroxide; In 5,5-dimethyl-1,3-cyclohexadiene; at 80 ℃; for 20h; under 11251.1 Torr; regioselective reaction; Autoclave;

DOI:10.1177/1747519819876202

upstream raw materials:

2-fluorophenyl acetonitrile

2-fluorophenol

carbon dioxide

2-fluorobenzyl chloride

Downstream raw materials:

o-fluorophenylacetic acid ethyl ester

2-(2-fluorophenyl)acetyl chloride

N-<2-Fluor-phenylacetyl>-phenaethylamin

(2-Fluoro-phenyl)-acetic acid ethoxycarbonylmethyl ester

Refernces

• 1、 -. "Synthetic method of prasugrel intermediate o-fluorophenylacetic acid". Paragraph 0029; 0037; 0038; 0046; 0047; 0055-0068. . Retrieved 2020/02/19.
• 2、 Li, He,Zhang, Yijun,Liu, Dinghua,Liu, Xiaoqin. "An improved method for the synthesis of phenylacetic acid derivatives via carbonylation". . p. 548 - 552. Retrieved 2019/11/13.