2-(2-Fluorophenyl)-2-oxoacetic acid

Base Information

• Chemical Name: 2-(2-Fluorophenyl)-2-oxoacetic acid
• CAS No.: 79477-86-4
• Molecular Formula: C8H5 F O3
• Molecular Weight: 168.124
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID00597369
• Nikkaji Number: J2.950.973E
• Wikidata: Q82492903
• Mol file: 79477-86-4.mol

Synonyms:79477-86-4;2-(2-fluorophenyl)-2-oxoacetic acid;(2-FLUORO-PHENYL)-OXO-ACETIC ACID;(2-Fluorophenyl)-oxoacetic acid;2-FLUOROPHENYLGLYOXYLIC ACID;2-(2-Fluorophenyl)-2-oxo-acetic acid;(2-fluorophenyl)(oxo)acetic acid;MFCD06739153;2-(2-Fluorophenyl)-2-oxoaceticacid;SCHEMBL6002438;DTXSID00597369;AB7290;AKOS006228130;AB28722;AS-44829;DB-075597;A9913;CS-0341015

Chemical Property of 2-(2-Fluorophenyl)-2-oxoacetic acid

Chemical Property:

• Vapor Pressure: 0.0031mmHg at 25°C
• Refractive Index: 1.544
• Boiling Point: 271.7°C at 760 mmHg
• Flash Point: 118.1°C
• PSA: 54.37000
• Density: 1.403g/cm³
• LogP: 1.09300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.02227218
• Heavy Atom Count: 12
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

2-(2-Fluorophenyl)-2-oxoaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2-Fluorophenyl)-2-oxoacetic acid

There total 18 articles about 2-(2-Fluorophenyl)-2-oxoacetic 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: 88.0%

2'-Fluoroacetophenone (445-27-2) → 2-fluorophenylglyoxylic acid (79477-86-4)

Guidance literature:

With hydrogenchloride; sodium dichromate; In water; at 95 ℃; for 6h;

Reference yield: 82.0%

allyl alcohol (107-18-6) + 2-fluorophenylglyoxylic acid (79477-86-4) → (E)-1-(2-fluorophenyl)but-2-en-1-one (79477-86-4)

Guidance literature:

With triphenylphosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In 1,4-dioxane; at 100 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.jorganchem.2013.06.004

Reference yield: 82.0%

allyl 2-(2-fluorophenyl)-2-oxoacetate (1360924-15-7) → (E)-1-(2-fluorophenyl)but-2-en-1-one (79477-86-4)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; Tri(p-tolyl)phosphine; In toluene; at 100 ℃; for 12h; Inert atmosphere;

DOI:10.1002/chem.201102584

upstream raw materials:

2-fluoroacetophenone

2'-Fluoroacetophenone

ethyl 2-(2-fluorophenyl)-2-oxoacetate

2-fluoromandelic acid

Downstream raw materials:

5-(2-Fluoro-phenyl)-6-hydroxy-pyrazine-2,3-dicarbonitrile

α-t-butyloximino-2-fluorophenylacetic acid

(2-fluorophenyl)(2-(pyridin-2-yl)phenyl)methanone

o-fluorobenzophenone