2-(1,3-Dithiolan-2-yliden)-3-oxo-3-phenylpropanenitrile

Base Information

Chemical Name:2-(1,3-Dithiolan-2-yliden)-3-oxo-3-phenylpropanenitrile
CAS No.:62455-58-7
Molecular Formula:C12H9NOS2
Molecular Weight:247.342
Hs Code.:
DSSTox Substance ID:DTXSID901221171
ChEMBL ID:CHEMBL35962

Synonyms:Maybridge3_003251;62455-58-7;MLS000859118;CHEMBL35962;DTXSID901221171;HMS1440D17;HMS2797C22;CCG-250516;IDI1_014638;SMR000459297;2-(1,3-dithiolan-2-yliden)-3-oxo-3-phenylpropanenitrile;alpha-1,3-Dithiolan-2-ylidene-beta-oxobenzenepropanenitrile

Suppliers and Price of 2-(1,3-Dithiolan-2-yliden)-3-oxo-3-phenylpropanenitrile

Supply Marketing:

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

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Chemical Property of 2-(1,3-Dithiolan-2-yliden)-3-oxo-3-phenylpropanenitrile

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:247.01255626
Heavy Atom Count:16
Complexity:353

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CSC(=C(C#N)C(=O)C2=CC=CC=C2)S1

Technology Process of 2-(1,3-Dithiolan-2-yliden)-3-oxo-3-phenylpropanenitrile

There total 3 articles about 2-(1,3-Dithiolan-2-yliden)-3-oxo-3-phenylpropanenitrile 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: 91.0%

: Dinatrium-1-benzoyl-1-cyan-ethen-2,2-dithiolat

: 106-93-4
ethylene dibromide

: 62455-58-7
2-(benzoylcyanomethylene)-1,3-dithiolane

Guidance literature:: for 2h; Ambient temperature;

Reference yield: 74.0%

: 822-38-8
1,3-dithiolane-2-thione

: 614-16-4
Benzoylacetonitrile

: 62455-58-7
2-(benzoylcyanomethylene)-1,3-dithiolane

Guidance literature:: With silver trifluoroacetate; triethylamine; In acetonitrile; for 1h; Ambient temperature;
DOI:10.1246/bcsj.67.3048

Reference yield:

: 614-16-4
Benzoylacetonitrile

: 62455-58-7
2-(benzoylcyanomethylene)-1,3-dithiolane

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydride / dimethylsulfoxide / 2 h / Ambient temperature

2: 91 percent / 2 h / Ambient temperature

With sodium hydride; In dimethyl sulfoxide;