5-Mercapto-o-anisic acid

Base Information

Chemical Name:5-Mercapto-o-anisic acid
CAS No.:80530-56-9
Molecular Formula:C8H8O3S
Molecular Weight:184.216
Hs Code.:
European Community (EC) Number:279-491-0
DSSTox Substance ID:DTXSID101001303
Nikkaji Number:J320.284D
Wikidata:Q82995192
Mol file:80530-56-9.mol

Synonyms:5-Mercapto-o-anisic acid;80530-56-9;EINECS 279-491-0;5-mercapto-2-methoxybenzoic acid;2-methoxy-5-sulfanylbenzoic acid;SCHEMBL20139900;DTXSID101001303;AKOS026732046;3-CYANO-4-FLUOROPHENYLHYDRAZINEHCL

Suppliers and Price of 5-Mercapto-o-anisic 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

Total 7 raw suppliers

Chemical Property of 5-Mercapto-o-anisic acid

Chemical Property:

Vapor Pressure:9.94E-06mmHg at 25°C
Boiling Point:357.4°C at 760 mmHg
PKA:3.84±0.10(Predicted)
Flash Point:170°C
PSA：85.33000
Density:1.329g/cm³
LogP:1.68210
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:184.01941529
Heavy Atom Count:12
Complexity:172

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)S)C(=O)O

Technology Process of 5-Mercapto-o-anisic acid

There total 2 articles about 5-Mercapto-o-anisic 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:

: 2786-00-7
2-methoxy-5-iodobenzoic acid

: 58765-12-1
2-hydroxy-5-mercaptobenzoic acid

: 80530-56-9
5-mercapto-2-methoxybenzoic acid

Guidance literature:: With copper(l) iodide; potassium carbonate; sulfur; In N,N-dimethyl-formamide; at 90 ℃; Inert atmosphere;

Reference yield:

: 51904-91-7
5-chlorosulfonyl-2-anisic acid

: 80530-56-9
5-mercapto-2-methoxybenzoic acid

Guidance literature:: With hydrogenchloride; tin;
DOI:10.1039/jr9330001375

Reference yield:

: 80530-56-9
5-mercapto-2-methoxybenzoic acid

: 50390-76-6
2-methoxy-5-methylsulphonylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaOH solution

2: potassium carbonate; aqueous potassium permanganate solution

With sodium hydroxide; potassium permanganate; potassium carbonate;
DOI:10.1039/jr9330001375