Methyl 3-(methylthio)benzoate

Base Information

Chemical Name:Methyl 3-(methylthio)benzoate
CAS No.:90721-40-7
Molecular Formula:C9H10O2S
Molecular Weight:182.243
Hs Code.:
DSSTox Substance ID:DTXSID50424111
Nikkaji Number:J380.968D
Wikidata:Q82236561

Synonyms:methyl 3-(methylthio)benzoate;90721-40-7;methyl 3-methylsulfanylbenzoate;3-methylsulfanyl-benzoic acid methyl ester;C9H10O2S;3-CH3S-C6H4-COOCH3;starbld0031788;SCHEMBL710226;DTXSID50424111;AKOS015998402;Methyl[3-(methoxycarbonyl)phenyl] sulfide;3-Mercaptobenzoic acid, S-methyl-, methyl ester

Suppliers and Price of Methyl 3-(methylthio)benzoate

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 Methyl 3-(methylthio)benzoate

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.04015073
Heavy Atom Count:12
Complexity:159

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=CC=C1)SC

Technology Process of Methyl 3-(methylthio)benzoate

There total 10 articles about Methyl 3-(methylthio)benzoate 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: 98.0%

: 4869-59-4
3-mercapto benzoic acid

: 74-88-4
methyl iodide

: 90721-40-7
3-methanesulfanyl benzoic acid methyl ester

Guidance literature:: With potassium carbonate; In acetone;
DOI:10.1016/j.bmcl.2005.06.009

Reference yield: 96.0%

: 24424-99-5
di-tert-butyl dicarbonate

: 5,5-dimethyl-2-(3-(methylthio)phenyl)-1,3,2-dioxaborinane

: 74-88-4
methyl iodide

: 90721-40-7
3-methanesulfanyl benzoic acid methyl ester

Guidance literature:: di-tert-butyl dicarbonate; 5,5-dimethyl-2-(3-(methylthio)phenyl)-1,3,2-dioxaborinane; With 4,4'-dimethyl-2,2'-bipyridines; lithium methanolate; copper(l) chloride; In N,N-dimethyl acetamide; at 30 ℃; for 6h; Inert atmosphere; Schlenk technique;

methyl iodide; In N,N-dimethyl acetamide; at 30 ℃; for 2h; Schlenk technique;
DOI:10.1055/a-1377-7369

Reference yield: 76.0%

: 624-92-0
Dimethyldisulphide

: 618-89-3
methyl 3-bromobenzoate

: 90721-40-7
3-methanesulfanyl benzoic acid methyl ester

Guidance literature:: methyl 3-bromobenzoate; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

Dimethyldisulphide; In tetrahydrofuran; at -78 ℃; Inert atmosphere;
DOI:10.1002/anie.201610041