2-(4-Methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile

Base Information

Chemical Name:2-(4-Methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile
CAS No.:98606-85-0
Molecular Formula:C13H13 N O S2
Molecular Weight:0
Hs Code.:2930909090
DSSTox Substance ID:DTXSID50539355
Mol file:98606-85-0.mol

Synonyms:98606-85-0;2-(4-methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile;SCHEMBL10655256;DTXSID50539355

Suppliers and Price of 2-(4-Methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile

Supply Marketing:

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

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Chemical Property of 2-(4-Methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile

Chemical Property:

PSA：91.46000
LogP:3.63888
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:263.04385639
Heavy Atom Count:17
Complexity:353

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)C(=C(SC)SC)C#N

Technology Process of 2-(4-Methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile

There total 2 articles about 2-(4-Methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile 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: 71.0%

: 544-92-3
copper(I) cyanide

: 98606-80-5
2-bromo-3,3-bis(methylthio)-1-(p-tolyl) prop-2-en-1-one

: 98606-85-0
1-cyano-1-(4-methylbenzoyl)-2,2-di(methylthio)ethene

Guidance literature:: In pyridine; at 180 - 190 ℃; for 1h;
DOI:10.1055/s-1985-31141

Reference yield:

: 41467-27-0
3,3-bis(methylthio)-1-(p-tolyl)prop-2-en-1-one

: 98606-85-0
1-cyano-1-(4-methylbenzoyl)-2,2-di(methylthio)ethene

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / NBS / CCl₄ / 1.5 h / Ambient temperature

2: 71 percent / various solvent(s); pyridine / 1 h / 180 - 190 °C

With N-Bromosuccinimide; In pyridine; tetrachloromethane;
DOI:10.1055/s-1985-31141