3-Buten-2-one, 3-(4-chlorophenyl)-4,4-bis(methylthio)-

Base Information

Chemical Name:3-Buten-2-one, 3-(4-chlorophenyl)-4,4-bis(methylthio)-
CAS No.:61538-99-6
Molecular Formula:C12H13ClOS2
Molecular Weight:272.82
Hs Code.:
DSSTox Substance ID:DTXSID80484905

Synonyms:61538-99-6;3-Buten-2-one, 3-(4-chlorophenyl)-4,4-bis(methylthio)-;DTXSID80484905

Suppliers and Price of 3-Buten-2-one, 3-(4-chlorophenyl)-4,4-bis(methylthio)-

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 3-Buten-2-one, 3-(4-chlorophenyl)-4,4-bis(methylthio)-

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:272.0096351
Heavy Atom Count:16
Complexity:275

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Buten-2-one, 3-(4-chlorophenyl)-4,4-bis(methylthio)-

There total 3 articles about 3-Buten-2-one, 3-(4-chlorophenyl)-4,4-bis(methylthio)- 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: 78.0%

: 17649-86-4
4,4-bis(methylthio)but-3-en-2-one

: 673-41-6
p-chlorobenzenediazonium tetrafluoroborate

: 61538-99-6
1,1-Bis-methylthio-2-acetyl-p-chlorphenylethylen

Guidance literature:: With tris(bipyridine)ruthenium(II) dichloride hexahydrate; In dimethyl sulfoxide; at 25 ℃; for 15h; Irradiation; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.7b03223

Reference yield:

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

: 5586-88-9
1-(4-chlorophenyl)propan-2-one

: 74-88-4
methyl iodide

: 61538-99-6
1,1-Bis-methylthio-2-acetyl-p-chlorphenylethylen

Guidance literature:: Multistep reaction; (i) NaOtBu, (ii) /BRN= 969135/;
DOI:10.1016/0040-4020(76)85174-5

Reference yield:

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

: 5586-88-9
1-(4-chlorophenyl)propan-2-one

: 61538-99-6
1,1-Bis-methylthio-2-acetyl-p-chlorphenylethylen

Guidance literature:: 1-(4-chlorophenyl)propan-2-one; With potassium carbonate; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

carbon disulfide; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

methyl halide; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 14h;
DOI:10.1021/acs.orglett.6b01780