(2E)-3-(4-Chlorophenyl)-2-butenenitrile

Base Information

Chemical Name:(2E)-3-(4-Chlorophenyl)-2-butenenitrile
CAS No.:51791-30-1
Molecular Formula:C₁₀H₈ClN
Molecular Weight:177.633
Hs Code.:
DSSTox Substance ID:DTXSID401278753
Nikkaji Number:J329.767E

Synonyms:SCHEMBL11761840;SCHEMBL11763446;DTXSID401278753;51791-30-1;(2E)-3-(4-Chlorophenyl)-2-butenenitrile

Suppliers and Price of (2E)-3-(4-Chlorophenyl)-2-butenenitrile

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (2E)-3-(4-Chlorophenyl)-2-butenenitrile

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:177.0345270
Heavy Atom Count:12
Complexity:215

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=CC#N)C1=CC=C(C=C1)Cl
Isomeric SMILES:C/C(=C\C#N)/C1=CC=C(C=C1)Cl

Technology Process of (2E)-3-(4-Chlorophenyl)-2-butenenitrile

There total 11 articles about (2E)-3-(4-Chlorophenyl)-2-butenenitrile 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: 98.0%

: 2537-48-6
diethyl 1-cyanomethylphosphonate

: 99-91-2
para-chloroacetophenone

: 51791-30-1
(2E)-3-(4-chlorophenyl)but-2-enenitrile

Guidance literature:: diethyl 1-cyanomethylphosphonate; With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 0.166667h;

para-chloroacetophenone; In tetrahydrofuran; mineral oil; at 20 ℃; for 1h;
DOI:10.1021/acs.jmedchem.6b00039