Propanedinitrile, [[(4-methylphenyl)amino](methylthio)methylene]-

Base Information

Chemical Name:Propanedinitrile, [[(4-methylphenyl)amino](methylthio)methylene]-
CAS No.:74906-21-1
Molecular Formula:C12H11N3S
Molecular Weight:229.305
Hs Code.:
DSSTox Substance ID:DTXSID60399922

Synonyms:74906-21-1;Propanedinitrile, [[(4-methylphenyl)amino](methylthio)methylene]-;DTXSID60399922

Suppliers and Price of Propanedinitrile, [[(4-methylphenyl)amino](methylthio)methylene]-

Supply Marketing:

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

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Chemical Property of Propanedinitrile, [[(4-methylphenyl)amino](methylthio)methylene]-

Chemical Property:

PSA：84.91000
LogP:3.10166
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:229.06736854
Heavy Atom Count:16
Complexity:342

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Propanedinitrile, [[(4-methylphenyl)amino](methylthio)methylene]-

There total 3 articles about Propanedinitrile, [[(4-methylphenyl)amino](methylthio)methylene]- 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: 64.0%

: 622-59-3
1-isothiocyanato-4-methylbenzene

: 109-77-3
malononitrile

: 74-88-4
methyl iodide

: 74906-21-1
2-(Methylsulfanyl-p-tolylamino-methylene)-malononitrile

Guidance literature:: malononitrile; With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1h; Sealed tube;

1-isothiocyanato-4-methylbenzene; In N,N-dimethyl-formamide; at 0 - 20 ℃; Sealed tube;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h; Sealed tube;
DOI:10.1039/d1ob01151k

Reference yield:

: 106-49-0,12221-03-3
p-toluidine

: 5147-80-8
[Bis(methylthio)methylene]malononitrile

: 74906-21-1
2-(Methylsulfanyl-p-tolylamino-methylene)-malononitrile

Guidance literature:: In methanol; for 24h; Reflux;
DOI:10.1016/j.tetlet.2014.12.010

Reference yield:

: 106-49-0,12221-03-3
p-toluidine

: 74906-21-1
2-(Methylsulfanyl-p-tolylamino-methylene)-malononitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: toluene / 3 h / Reflux

2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.5 h

2.2: 1 h / 20 °C

2.3: 4 h / 20 °C

With sodium hydride; In N,N-dimethyl-formamide; toluene; mineral oil;
DOI:10.1002/cmdc.201500304