2-Chloro-phenyl-oxo-acetic acid

Base Information

• Chemical Name: 2-Chloro-phenyl-oxo-acetic acid
• CAS No.: 26118-14-9
• Molecular Formula: C8H5ClO3
• Molecular Weight: 184.579
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID20440308
• Nikkaji Number: J2.709.449J
• Wikidata: Q82256585
• Mol file: 26118-14-9.mol

Synonyms:26118-14-9;2-Chloro-phenyl-oxo-acetic acid;2-(2-chlorophenyl)-2-oxoacetic acid;2-Chlorophenyl-oxoacetic acid;o-chlorobenzoylformic acid;2-Chlorobenzoylformic acid;2-chlorophenyloxoacetic acid;SCHEMBL1509797;DTXSID20440308;BBA11814;alpha-Oxo-2-chlorobenzeneacetic acid;2-(2-chlorophenyl)-2-oxoaceticacid;MFCD06410833;AKOS006291781;AB24958;2-Chloro-.alpha.-oxo-benzeneacetic acid;Benzeneacetic acid, 2-chloro-alpha-oxo-;AC-13553;AS-44514;A5184;BB 0258678;CS-0085188;FT-0682402;EN300-1238558;J-016262

Chemical Property of 2-Chloro-phenyl-oxo-acetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 114-117 °C
• Boiling Point: 308.705°C at 760 mmHg
• PKA: 1.93±0.54(Predicted)
• Flash Point: 140.5°C
• PSA: 54.37000
• Density: 1.447g/cm³
• LogP: 1.60730
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 183.9927217
• Heavy Atom Count: 12
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

2-(2-Chlorophenyl)-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)Cl

Technology Process of 2-Chloro-phenyl-oxo-acetic acid

There total 11 articles about 2-Chloro-phenyl-oxo-acetic 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: 90.0%

1-(2-chlorophenyl)ethanone (2142-68-9) → o-chlorobenzoylformic acid (26118-14-9)

Guidance literature:

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

Reference yield: 90.0%

2-chlorobenzoyl cyanide (35022-42-5) → o-chlorobenzoylformic acid (26118-14-9)

Guidance literature:

With hydrogenchloride; water; at 20 ℃; for 120h;

Reference yield: 85.0%

methyl 2-chlorobenzoylformate (34966-49-9) → o-chlorobenzoylformic acid (26118-14-9)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1039/c4cc07643e

upstream raw materials:

methyl 2-chlorobenzoylformate

rac-methyl 2-chloromandelate

2-chlorobenzoyl cyanide

1-(2-chlorophenyl)ethanone

Downstream raw materials:

α-(2-thiophenylethylamino)-o-chlorophenylacetic acid

S-t-butyl (2-chlorophenyl)-oxo-thioacetate

S-t-butyl (2-chlorophenyl)-hydroxythioacetate

(R)-2-chloromandelic acid