Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-

Base Information

Chemical Name:Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-
CAS No.:77609-12-2
Molecular Formula:C18H13ClN2O
Molecular Weight:308.767
Hs Code.:
DSSTox Substance ID:DTXSID10405668
Nikkaji Number:J1.554.881I

Synonyms:77609-12-2;Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-;DTXSID10405668

Suppliers and Price of Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-

Supply Marketing:

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

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Chemical Property of Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:308.0716407
Heavy Atom Count:22
Complexity:456

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-

There total 1 articles about Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]- 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: 96.0%

: 956-02-5
4'-chlorochalcone

: 109-77-3
malononitrile

: 77609-12-2
2-(3-(4-chlorophenyl)-3-oxo-1-phenylpropyl)malononitrile

Guidance literature:: With potassium fluoride on clinoptilolite; In methanol; at 45 ℃; for 0.416667h;
DOI:10.1016/j.cclet.2012.02.006

Reference yield: 84.0%

: 77609-12-2
2-(3-(4-chlorophenyl)-3-oxo-1-phenylpropyl)malononitrile

: (2S,4S)-6-amino-2-(4-chlorophenyl)-4-phenyl-3,4-dihydro-2H-pyran-5-carbonitrile

Guidance literature:: With ?chloro[(1S,2S)-N-(p-toluenesulfonyl)-1,2-diphenylethylenediamine]-(mesitylene) ruthenium (II); sodium formate; triethylamine; In water; isopropyl alcohol; at 60 ℃; stereoselective reaction;
DOI:10.1039/c7cc02156a

Reference yield: 77.0%

: 32315-10-9
bis(trichloromethyl) carbonate

: 77609-12-2
2-(3-(4-chlorophenyl)-3-oxo-1-phenylpropyl)malononitrile

: 2,4-dichloro-7-(4-chlorophenyl)-5-phenyl-5H-pyrano[2,3-d]pyrimidine

Guidance literature:: bis(trichloromethyl) carbonate; With Triphenylphosphine oxide; In chlorobenzene; at 20 ℃; for 0.5h;

2-(3-(4-chlorophenyl)-3-oxo-1-phenylpropyl)malononitrile; In chlorobenzene; at 110 ℃;
DOI:10.1021/acs.joc.8b00669