2-[(Methylthio)(4-nitrophenyl)methylene]propanedinitrile

Base Information

Chemical Name:2-[(Methylthio)(4-nitrophenyl)methylene]propanedinitrile
CAS No.:183739-67-5
Molecular Formula:C11H7N3O2S
Molecular Weight:245.261
Hs Code.:
DSSTox Substance ID:DTXSID001201203

Synonyms:183739-67-5;SCHEMBL8125164;RHTWNAUPJZUNCL-UHFFFAOYSA-N;DTXSID001201203;2-[(Methylthio)(4-nitrophenyl)methylene]propanedinitrile;3-(4-nitrophenyl)-3-methylmercapto-2-cyano-acrylonitrile

Suppliers and Price of 2-[(Methylthio)(4-nitrophenyl)methylene]propanedinitrile

Supply Marketing:

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

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Chemical Property of 2-[(Methylthio)(4-nitrophenyl)methylene]propanedinitrile

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:245.02589765
Heavy Atom Count:17
Complexity:409

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CSC(=C(C#N)C#N)C1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 2-[(Methylthio)(4-nitrophenyl)methylene]propanedinitrile

There total 1 articles about 2-[(Methylthio)(4-nitrophenyl)methylene]propanedinitrile 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: 43.0%

: 58863-41-5
4-nitro-dithiobenzoic acid methyl ester

: 3189-43-3
tetracyanoethylene oxide

: 183739-67-5
3-(4-nitrophenyl)-3-methylmercapto-2-cyano-acrylonitrile

Guidance literature:: In toluene; Heating;
DOI:10.1021/jm970124v

Reference yield:

: 183739-67-5
3-(4-nitrophenyl)-3-methylmercapto-2-cyano-acrylonitrile

: 42754-63-2
3-amino-5-(4-nitro-phenyl)-1⁽²⁾H-pyrazole-4-carbonitrile

Guidance literature:: With hydrazine hydrate; In methanol; Heating;
DOI:10.1021/jm970124v

Reference yield:

: 183739-67-5
3-(4-nitrophenyl)-3-methylmercapto-2-cyano-acrylonitrile

: N'-[5-(4-Amino-phenyl)-4-cyano-2H-pyrazol-3-yl]-N,N-dimethyl-formamidine

Guidance literature:: Multi-step reaction with 3 steps

1: N₂H₄*H₂O / methanol / Heating

2: 94 percent / toluene / 5 h / Heating

3: 85 percent / H₂ / 5percent Pd/C / tetrahydrofuran

With hydrogen; hydrazine hydrate; palladium on activated charcoal; In tetrahydrofuran; methanol; toluene;
DOI:10.1021/jm970124v