5-(Methylthio)-o-anisic acid

Base Information

Chemical Name:5-(Methylthio)-o-anisic acid
CAS No.:61694-97-1
Molecular Formula:C9H10 O3 S
Molecular Weight:198.243
Hs Code.:2930909090
European Community (EC) Number:262-910-6
UNII:Y8XL8M5FNP
DSSTox Substance ID:DTXSID40210686
Nikkaji Number:J279.694E
Wikidata:Q83085450
Mol file:61694-97-1.mol

Synonyms:5-(Methylthio)-o-anisic acid;61694-97-1;2-methoxy-5-methylsulfanylbenzoic acid;2-methoxy-5-(methylthio)benzoic acid;EINECS 262-910-6;Y8XL8M5FNP;SCHEMBL10373746;DTXSID40210686;AKOS006327325;2-methoxy-5-methylsulfanyl-benzoic acid;Benzoic acid, 2-methoxy-5-(methylthio)-;Benzoic acid, 2-methoxy-5-methylmercapto-;2-METHOXY-5-(METHYLSULFANYL)BENZOIC ACID;A833375

Suppliers and Price of 5-(Methylthio)-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 5 raw suppliers

Chemical Property of 5-(Methylthio)-o-anisic acid

Chemical Property:

Vapor Pressure:1.47E-05mmHg at 25°C
Boiling Point:351.9°C at 760 mmHg
Flash Point:166.6°C
PSA：71.83000
Density:1.29g/cm³
LogP:2.11530
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:198.03506535
Heavy Atom Count:13
Complexity:184

Purity/Quality:: 97% ^*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)SC)C(=O)O

Technology Process of 5-(Methylthio)-o-anisic acid

There total 4 articles about 5-(Methylthio)-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: 50.0%

: 124-38-9,18923-20-1
carbon dioxide

: 1879-16-9
1-methoxy-4-methylsulfanyl-benzene

: 61694-97-1
2-methoxy-5-(methylthio)benzoic acid

Guidance literature:: 1-methoxy-4-methylsulfanyl-benzene; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; triisobutylaluminum; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 3h;

carbon dioxide; With chloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]copper(I); potassium tert-butylate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 3h; under 760.051 Torr;

With hydrogenchloride; In tetrahydrofuran; hexane; water; regioselective reaction;
DOI:10.1002/asia.201403247

Reference yield:

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

: 61694-97-1
2-methoxy-5-(methylthio)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: tin; aqueous hydrochloric acid

2: aq. NaOH solution

With hydrogenchloride; sodium hydroxide; tin;
DOI:10.1039/jr9330001375