Methyl 2-methyl-3-oxo-2-(phenylsulfanyl)butanoate

Base Information

Chemical Name:Methyl 2-methyl-3-oxo-2-(phenylsulfanyl)butanoate
CAS No.:82111-72-6
Molecular Formula:C12H14O3S
Molecular Weight:238.307
Hs Code.:
DSSTox Substance ID:DTXSID20510555

Synonyms:82111-72-6;Methyl 2-methyl-3-oxo-2-(phenylsulfanyl)butanoate;DTXSID20510555

Suppliers and Price of Methyl 2-methyl-3-oxo-2-(phenylsulfanyl)butanoate

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 1 raw suppliers

Chemical Property of Methyl 2-methyl-3-oxo-2-(phenylsulfanyl)butanoate

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:238.06636548
Heavy Atom Count:16
Complexity:271

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:CC(=O)C(C)(C(=O)OC)SC1=CC=CC=C1

Technology Process of Methyl 2-methyl-3-oxo-2-(phenylsulfanyl)butanoate

There total 2 articles about Methyl 2-methyl-3-oxo-2-(phenylsulfanyl)butanoate 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: 100.0%

: 17094-21-2
2-methyl-acetoacetic acid methyl ester

: 931-59-9
benzenesulfenyl chloride

: 82111-72-6
2-Methyl-3-oxo-2-phenylsulfanyl-butyric acid methyl ester

Guidance literature:: In dichloromethane; at 0 ℃;
DOI:10.1021/ja00386a055

Reference yield:

: 21673-18-7
methyl 2-(phenylthio)propanoate

: 75-36-5
acetyl chloride

: 82111-72-6
2-Methyl-3-oxo-2-phenylsulfanyl-butyric acid methyl ester

Guidance literature:: With n-butyllithium; 1,1,1,3,3,3-hexamethyl-disilazane; Yield given. Multistep reaction; 1a.) THF, hexane, -78 deg C, 1b.) to 0 deg C, 30 min, 2a.) -78 deg C, 2b.) 0 deg C, 30 min;
DOI:10.1021/jo00142a028