5-Hydroxy-3-mercapto-4-methoxybenzoic acid

Base Information

Chemical Name:5-Hydroxy-3-mercapto-4-methoxybenzoic acid
CAS No.:80547-87-1
Molecular Formula:C₈H₈O₄S
Molecular Weight:200.215
Hs Code.:
DSSTox Substance ID:DTXSID40230384
Wikidata:Q83110903
ChEMBL ID:CHEMBL109996
Mol file:80547-87-1.mol

Synonyms:5-hydroxy-3-mercapto-4-methoxybenzoic acid

Suppliers and Price of 5-Hydroxy-3-mercapto-4-methoxybenzoic 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 4 raw suppliers

Chemical Property of 5-Hydroxy-3-mercapto-4-methoxybenzoic acid

Chemical Property:

Vapor Pressure:9.44E-08mmHg at 25°C
Boiling Point:418.5°C at 760 mmHg
Flash Point:206.9°C
PSA：105.56000
Density:1.461g/cm³
LogP:1.38770
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:200.01432991
Heavy Atom Count:13
Complexity:197

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1S)C(=O)O)O

Technology Process of 5-Hydroxy-3-mercapto-4-methoxybenzoic acid

There total 2 articles about 5-Hydroxy-3-mercapto-4-methoxybenzoic 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:

: 3-Acetoxy-5-ethoxythiocarbonylsulfanyl-4-methoxy-benzoic acid

: 80547-87-1
5-hydroxy-3-mercapto-4-methoxybenzoic acid

Guidance literature:: With sodium hydroxide; In water; for 3h; Yield given; Heating;
DOI:10.1021/jm00345a017

Reference yield:

: 80547-89-3
3-Acetoxy-5-amino-4-methoxy-benzoic acid; hydrochloride

: 80547-87-1
5-hydroxy-3-mercapto-4-methoxybenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) concd. aq. HCl, aq. sodium nitrite / 1.) below 10 deg C, 15 min, 2.) 75 deg C, 1 h

2: NaOH / H₂O / 3 h / Heating

With hydrogenchloride; sodium hydroxide; sodium nitrite; In water;
DOI:10.1021/jm00345a017