4,5-Bis(benzylsulfanyl)benzene-1,2-dicarbonitrile

Base Information

Chemical Name:4,5-Bis(benzylsulfanyl)benzene-1,2-dicarbonitrile
CAS No.:400609-59-8
Molecular Formula:C22H16N2S2
Molecular Weight:372.514
Hs Code.:
DSSTox Substance ID:DTXSID60579323
Wikidata:Q82469810
Mol file:400609-59-8.mol

Synonyms:4,5-Bis(benzylsulfanyl)benzene-1,2-dicarbonitrile;400609-59-8;DTXSID60579323

Suppliers and Price of 4,5-Bis(benzylsulfanyl)benzene-1,2-dicarbonitrile

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

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Chemical Property of 4,5-Bis(benzylsulfanyl)benzene-1,2-dicarbonitrile

Chemical Property:

XLogP3:5.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:372.07549087
Heavy Atom Count:26
Complexity:471

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)C#N)C#N)SCC3=CC=CC=C3

Technology Process of 4,5-Bis(benzylsulfanyl)benzene-1,2-dicarbonitrile

There total 4 articles about 4,5-Bis(benzylsulfanyl)benzene-1,2-dicarbonitrile 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: 80.9%

: 139152-08-2
4,5-dichlorophthalonitrile

: 100-53-8
phenylmethanethiol

: 400609-59-8
1,2-bis(S-benzylthio)-4,5-dicyanobenzene

Guidance literature:: With potassium carbonate; In tetrahydrofuran; at 50 ℃;
DOI:10.1246/bcsj.77.2011

Reference yield:

: 15997-89-4
4,5-dichlorophthalimide

: 400609-59-8
1,2-bis(S-benzylthio)-4,5-dicyanobenzene

Guidance literature:: Multi-step reaction with 3 steps

1.1: ammonium hydroxide / dimethyl sulfoxide / 6 h / 0 - 20 °C

2.1: thionyl chloride / N,N-dimethyl-formamide / 12 h / 0 °C / Inert atmosphere

3.1: tetrahydrofuran / 0.5 h / 20 °C / Inert atmosphere

3.2: 25 h / 20 - 40 °C / Inert atmosphere

With ammonium hydroxide; thionyl chloride; In tetrahydrofuran; dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1002/anie.201507140

Reference yield:

: 147699-62-5
4,5-dichloro-1,2-benzenedicarboxamide

: 400609-59-8
1,2-bis(S-benzylthio)-4,5-dicyanobenzene

Guidance literature:: Multi-step reaction with 2 steps

1.1: thionyl chloride / N,N-dimethyl-formamide / 12 h / 0 °C / Inert atmosphere

2.1: tetrahydrofuran / 0.5 h / 20 °C / Inert atmosphere

2.2: 25 h / 20 - 40 °C / Inert atmosphere

With thionyl chloride; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1002/anie.201507140