2-(3-Mercaptophenyl)acetic acid

Base Information

Chemical Name:2-(3-Mercaptophenyl)acetic acid
CAS No.:63271-86-3
Molecular Formula:C8H8O2S
Molecular Weight:168.216
Hs Code.:2930909090
European Community (EC) Number:695-482-8
DSSTox Substance ID:DTXSID00393484
Mol file:63271-86-3.mol

Synonyms:2-(3-Mercaptophenyl)acetic acid;63271-86-3;3-MERCAPTOPHENYLACETIC ACID;2-(3-sulfanylphenyl)acetic Acid;Benzeneacetic acid, 3-mercapto-;3-Mercapto-benzeneacetic Acid;3-Mercaptophenylacetic Acid, 90%;3-mercapto-phenylacetic acid;3-mercaptophenyl acetic acid;SCHEMBL40418;(3-mercaptophenyl)acetic acid;2-(3-Mercaptophenyl)aceticacid;DTXSID00393484;BIPWQAXQJQOPHM-UHFFFAOYSA-N;STR06754;AKOS006271703;3-Mercaptophenylacetic Acid, 90per cent;CS-0454476;FT-0671096;A868194

Suppliers and Price of 2-(3-Mercaptophenyl)acetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
3-Mercaptophenylacetic acid, 90%
1g
$ 1238.00

Usbiological
3-Mercaptophenylacetic Acid, 90%
500mg
$ 496.00

Crysdot
2-(3-Mercaptophenyl)aceticacid 95+%
1g
$ 432.00

American Custom Chemicals Corporation
3-MERCAPTOPHENYLACETIC ACID 95.00%
10G
$ 2061.68

American Custom Chemicals Corporation
3-MERCAPTOPHENYLACETIC ACID 95.00%
1G
$ 727.65

Total 15 raw suppliers

Chemical Property of 2-(3-Mercaptophenyl)acetic acid

Chemical Property:

Vapor Pressure:4.54E-05mmHg at 25°C
Melting Point:100-103°C
Boiling Point:336°C at 760 mmHg
PKA:4.20±0.10(Predicted)
Flash Point:157°C
PSA：76.10000
Density:1.299g/cm³
LogP:1.60240
Storage Temp.:-20°C Freezer, Under Inert Atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:168.02450067
Heavy Atom Count:11
Complexity:147

Purity/Quality:

97% ^*data from raw suppliers

3-Mercaptophenylacetic acid, 90% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)S)CC(=O)O
Uses 3-Mercaptophenylacetic Acid is a useful synthetic intermediate for the preparation of novel antiinflammatory agents

Technology Process of 2-(3-Mercaptophenyl)acetic acid

There total 4 articles about 2-(3-Mercaptophenyl)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:

: 887354-92-9
2-(3-((ethoxycarbonothioyl)thio)phenyl)acetic acid

: 63271-86-3
2-(3-mercaptophenyl)acetic acid

Guidance literature:: With sodium hydroxide; In water; for 5h; Heating;
DOI:10.1021/ja00369a041

Reference yield:

: 1877-73-2
3-nitro-benzeneacetic acid

: 63271-86-3
2-(3-mercaptophenyl)acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 70 percent / FeSO₄-7H₂O, NH₄OH / H₂O / 0.17 h / Heating; pH 10

2: 1.) sodium nitrite, HCl / 1.) H₂O, 2.) 60 deg C, 90 deg C, 0.5 h

3: NaOH / H₂O / 5 h / Heating

With hydrogenchloride; ammonium hydroxide; sodium hydroxide; iron(II) sulfate; sodium nitrite; In water;
DOI:10.1021/ja00369a041

Reference yield:

: 3-carboxymethylbenzenesulphonyl chloride

: 22958-99-2
2-(4-(chlorosulfonyl)phenyl)acetic acid

: 39161-84-7
4-mercaptophenylacetic acid

: 63271-86-3
2-(3-mercaptophenyl)acetic acid

Guidance literature:: 3-carboxymethylbenzenesulphonyl chloride; 2-(4-(chlorosulfonyl)phenyl)acetic acid; With phosphorus; iodine; In acetic acid; at 100 - 110 ℃; for 0.5 - 4h; Heating / reflux;

With water; at 100 ℃; for 1.5 - 2h; Product distribution / selectivity; Heating / reflux;