alpha-Fluorophenylacetic acid

Base Information

• Chemical Name: alpha-Fluorophenylacetic acid
• CAS No.: 1578-63-8
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29163900
• European Community (EC) Number: 216-420-4
• DSSTox Substance ID: DTXSID00901720
• Nikkaji Number: J206.818D
• Wikidata: Q106902834
• Mol file: 1578-63-8.mol

Synonyms:2-(4-fluorophenyl)acetic acid;fluorophenylacetic acid;FPAA cpd

Chemical Property of alpha-Fluorophenylacetic acid

Chemical Property:

• Appearance/Colour: white to slightly yellow crystalline powder
• Vapor Pressure: 0.00577mmHg at 25°C
• Melting Point: 82-85 °C
• Boiling Point: 261.7 °C at 760 mmHg
• PKA: 2.12±0.10(Predicted)
• Flash Point: 112.1 °C
• PSA: 37.30000
• Density: 1.252 g/cm³
• LogP: 1.78180
• Storage Temp.: 0-6°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.04300762
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-2-phenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 23/24/25
• Safety Statements: 45-38-36/37/39-28A

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

Technology Process of alpha-Fluorophenylacetic acid

There total 37 articles about alpha-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%

fluoro-phenyl-acetic acid ethyl ester (643-77-6) → d'acide 2-fluoro-2-phenyl acetique (1578-63-8)

Guidance literature:

With lithium hydroxide monohydrate; water; In methanol; at 20 ℃; for 1h;

Reference yield: 92.0%

[2,2-bis-(tert-butyl-dimethyl-silanyloxy)-vinyl]-benzene → d'acide 2-fluoro-2-phenyl acetique (1578-63-8)

Guidance literature:

With Selectfluor; In acetonitrile; at 20 ℃;

DOI:10.1016/j.tetlet.2006.08.057

Reference yield: 90.0%

→ phenylacetic acid (103-82-2) + d'acide 2-fluoro-2-phenyl acetique (1578-63-8)

Guidance literature:

upstream raw materials:

2-fluoro-2-phenylethanol

(2,2-Bis-ethylsulfanyl-1-fluoro-vinyl)-benzene

diethyl 2-fluoro-2-phenylmalonate

2-fluoro-2-phenylacetamide

Downstream raw materials:

α-fluorobenzeneacetaldehyde

α-fluorophenylacetic acid chloride