5-Methoxy-2-(methylsulfanyl)benzoic acid

Base Information

Chemical Name:5-Methoxy-2-(methylsulfanyl)benzoic acid
CAS No.:98752-37-5
Molecular Formula:C9H10O3S
Molecular Weight:198.243
Hs Code.:
DSSTox Substance ID:DTXSID20502551
Nikkaji Number:J2.185.347J
Wikidata:Q82355694

Synonyms:98752-37-5;SCHEMBL11777736;DTXSID20502551;5-Methoxy-2-(methylsulfanyl)benzoic acid

Suppliers and Price of 5-Methoxy-2-(methylsulfanyl)benzoic acid

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

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Chemical Property of 5-Methoxy-2-(methylsulfanyl)benzoic acid

Chemical Property:

XLogP3:1.9
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:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC(=C(C=C1)SC)C(=O)O

Technology Process of 5-Methoxy-2-(methylsulfanyl)benzoic acid

There total 5 articles about 5-Methoxy-2-(methylsulfanyl)benzoic 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: 61.0%

: 852623-20-2
3-methoxy-6-methylthio-2-(trimethylsilyl)benzoic acid

: 98752-37-5
5-methoxy-2-(methylthio)benzoic acid

Guidance literature:: With hydrogenchloride; pH=1;
DOI:10.1021/ol050761c

Reference yield:

: 624-92-0
Dimethyldisulphide

: 22921-68-2
2-bromo-5-methoxy-benzoic acid

: 98752-37-5
5-methoxy-2-(methylthio)benzoic acid

: 586-38-9
3-Methoxybenzoic acid

Guidance literature:: Multistep reaction. Title compound not separated from byproducts;
DOI:10.1021/jm00115a024

Reference yield:

: 852623-12-2
3-methoxy-2-(trimethylsilyl)benzoic acid

: 98752-37-5
5-methoxy-2-(methylthio)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: s-BuLi; TMEDA / tetrahydrofuran / 0.5 h / -30 °C

2: 0.121 g / aq. HCl / 20 °C / pH 1

With hydrogenchloride; N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In tetrahydrofuran;
DOI:10.1021/jo070082a