p-Chloro-beta-methylhydrocinnamonitrile

Base Information

Chemical Name:p-Chloro-beta-methylhydrocinnamonitrile
CAS No.:87259-19-6
Molecular Formula:C10H10ClN
Molecular Weight:179.649
Hs Code.:
DSSTox Substance ID:DTXSID101007468
Nikkaji Number:J3.453.650C

Synonyms:BRN 2575839;p-Chloro-beta-methylhydrocinnamonitrile;Hydrocinnamonitrile, p-chloro-beta-methyl-;87259-19-6;3-(4-chlorophenyl)butanenitrile;SCHEMBL18376570;DTXSID101007468;3-(4-Chlorophenyl)-3-methylpropionitrile;LS-77223

Suppliers and Price of p-Chloro-beta-methylhydrocinnamonitrile

Supply Marketing:

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

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Chemical Property of p-Chloro-beta-methylhydrocinnamonitrile

Chemical Property:

Vapor Pressure:0.00108mmHg at 25°C
Boiling Point:301°C at 760 mmHg
Flash Point:125.5°C
Density:1.113g/cm³
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:179.0501770
Heavy Atom Count:12
Complexity:174

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of p-Chloro-beta-methylhydrocinnamonitrile

There total 4 articles about p-Chloro-beta-methylhydrocinnamonitrile 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%

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

: 87259-19-6
3-(4-chlorophenyl)butanenitrile

Guidance literature:: With copper (I) acetate; bis[2-(diphenylphosphino)phenyl] ether; In toluene; tert-butyl alcohol; at 20 ℃;

Reference yield: 80.0%

: 1712-70-5
1-chloro-4-(1-methylethenyl)-benzene

: 1-methylcyclohexa-2,5-diene-1-carbonitrile

: 87259-19-6
3-(4-chlorophenyl)butanenitrile

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; triphenylborane; bis[2-(diphenylphosphino)phenyl] ether; In 1,4-dioxane; at 110 ℃; for 20h; regioselective reaction; Glovebox; Inert atmosphere;
DOI:10.1021/jacs.8b10651

Reference yield:

: 99-91-2
para-chloroacetophenone

: 87259-19-6
3-(4-chlorophenyl)butanenitrile

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 20 °C / Cooling with ice

2: copper (I) acetate; bis[2-(diphenylphosphino)phenyl] ether / toluene; tert-butyl alcohol / 20 °C

With copper (I) acetate; sodium hydride; bis[2-(diphenylphosphino)phenyl] ether; In tetrahydrofuran; toluene; mineral oil; tert-butyl alcohol;