Butanoic acid, 2-[bis(methylthio)methylene]-3-oxo-, ethyl ester

Base Information

Chemical Name:Butanoic acid, 2-[bis(methylthio)methylene]-3-oxo-, ethyl ester
CAS No.:54893-95-7
Molecular Formula:C9H14O3S2
Molecular Weight:234.34
Hs Code.:
DSSTox Substance ID:DTXSID50407368
Nikkaji Number:J1.095.114C

Synonyms:54893-95-7;ethyl 2-[bis(methylsulfanyl)methylidene]-3-oxobutanoate;Butanoic acid, 2-[bis(methylthio)methylene]-3-oxo-, ethyl ester;ethyl 2-(bis(methylthio)methylene)-3-oxobutanoate;Ethyl 2-[Bis(methylthio)methylene]-3-oxobutanoate;starbld0037885;SCHEMBL8323782;DTXSID50407368;AXMITKLWOIYLEA-UHFFFAOYSA-N;MFCD02065170;Ethyl 3,3-bismethylthio-2-acetylacrylate;Ethyl 3.3-bismethylthio-2-acetylacrylate;SY267164;Ethyl 2-acetyl-3,3-bis(methylthio)acrylate;5X-0932

Suppliers and Price of Butanoic acid, 2-[bis(methylthio)methylene]-3-oxo-, ethyl ester

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

AK Scientific
Butanoicacid,2-[bis(methylthio)methylene]-3-oxo-,ethylester
5g
$ 1396.00

Total 1 raw suppliers

Chemical Property of Butanoic acid, 2-[bis(methylthio)methylene]-3-oxo-, ethyl ester

Chemical Property:

PSA：93.97000
LogP:2.07610
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:234.03843665
Heavy Atom Count:14
Complexity:253

Purity/Quality:: Butanoicacid,2-[bis(methylthio)methylene]-3-oxo-,ethylester ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(=C(SC)SC)C(=O)C

Technology Process of Butanoic acid, 2-[bis(methylthio)methylene]-3-oxo-, ethyl ester

There total 9 articles about Butanoic acid, 2-[bis(methylthio)methylene]-3-oxo-, ethyl ester 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: 95.0%

: 75-15-0,12122-00-8
carbon disulfide

: 141-97-9
ethyl acetoacetate

: 74-88-4
methyl iodide

: 54893-95-7
ethyl 2-acetyl-3,3-bis(methylthio)acrylate

Guidance literature:: carbon disulfide; ethyl acetoacetate; With potassium carbonate; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

methyl iodide; With potassium carbonate; In N,N-dimethyl-formamide; at 0 - 20 ℃;
DOI:10.1002/adsc.201000062

Reference yield:

: 141-97-9
ethyl acetoacetate

: 74-88-4
methyl iodide

: 54893-95-7
ethyl 2-acetyl-3,3-bis(methylthio)acrylate

Guidance literature:: With carbon disulfide; In dimethyl sulfoxide;

Reference yield:

: 75-15-0,12122-00-8
carbon disulfide

: 141-97-9
ethyl acetoacetate

: 54893-95-7
ethyl 2-acetyl-3,3-bis(methylthio)acrylate

Guidance literature:: carbon disulfide; ethyl acetoacetate; With tetrabutylammomium bromide; potassium carbonate; In water; at 20 ℃; for 1h;

Me-X, X = Hal; In water; at 20 ℃; for 8.25h; Further stages.;
DOI:10.1021/jo801406p