2-[3-(5-Chloro-2-thienyl)-3-oxo-1-phenylpropyl]propanedinitrile

Base Information

Chemical Name:2-[3-(5-Chloro-2-thienyl)-3-oxo-1-phenylpropyl]propanedinitrile
CAS No.:188782-72-1
Molecular Formula:C16H11ClN2OS
Molecular Weight:314.795
Hs Code.:
DSSTox Substance ID:DTXSID501175196

Synonyms:188782-72-1;DTXSID501175196;2-[3-(5-Chloro-2-thienyl)-3-oxo-1-phenylpropyl]propanedinitrile

Suppliers and Price of 2-[3-(5-Chloro-2-thienyl)-3-oxo-1-phenylpropyl]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-[3-(5-Chloro-2-thienyl)-3-oxo-1-phenylpropyl]propanedinitrile

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:314.0280618
Heavy Atom Count:21
Complexity:455

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(CC(=O)C2=CC=C(S2)Cl)C(C#N)C#N

Technology Process of 2-[3-(5-Chloro-2-thienyl)-3-oxo-1-phenylpropyl]propanedinitrile

There total 1 articles about 2-[3-(5-Chloro-2-thienyl)-3-oxo-1-phenylpropyl]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: 82.0%

: 109-77-3
malononitrile

: 6310-23-2
(2E)-1-(4-chlorocyclopenta-1,3-dien-1-yl)-3-phenylprop-2-en-1-one

: 188782-72-1
1-(5-chloro-2-thienyl)-4,4-dicyano-3-phenylbutanone

Guidance literature:: With morpholine; In ethanol;

Reference yield: 91.0%

: 188782-72-1
1-(5-chloro-2-thienyl)-4,4-dicyano-3-phenylbutanone

: 6-(5-chloro-2-thienyl)-3-cyano-4-phenylpyridine-2(1H)-thione

Guidance literature:: With organic base; sulfur; In ethanol; Heating;

Reference yield:

: 188782-72-1
1-(5-chloro-2-thienyl)-4,4-dicyano-3-phenylbutanone

: 2-[6-(5-chloro-thiophen-2-yl)-3-cyano-4-phenyl-pyridin-2-ylsulfanyl]-acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: 91 percent / sulfur; organic base / ethanol / Heating

2: 75 percent / aq. KOH / dimethylformamide / 25 °C

With potassium hydroxide; organic base; sulfur; In ethanol; N,N-dimethyl-formamide; 1: Cyclization / 2: Alkylation;