2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile

Base Information

Chemical Name:2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile
CAS No.:5422-48-0
Molecular Formula:C16H14 Cl N O
Molecular Weight:271.7415
Hs Code.:
NSC Number:11196
DSSTox Substance ID:DTXSID30279080

Synonyms:5422-48-0;NSC11196;DTXSID30279080;NSC 11196;NSC-11196

Suppliers and Price of 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile

Chemical Property:

Vapor Pressure:1.09E-06mmHg at 25°C
Boiling Point:402.5°C at 760 mmHg
Flash Point:197.2°C
Density:1.183g/cm³
XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:271.0763918
Heavy Atom Count:19
Complexity:308

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)CC(C#N)C2=CC=C(C=C2)Cl

Technology Process of 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile

There total 5 articles about 2-(4-Chlorophenyl)-3-(4-methoxyphenyl)propanenitrile 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: 90.0%

: 70777-65-0
(Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl) acrylonitrile

: 5422-48-0
2-(4-chloro-phenyl)-3-(4-methoxy-phenyl)-propionitrile

Guidance literature:: With sodium tetrahydroborate; In N,N-dimethyl-formamide; Ambient temperature; overnight;
DOI:10.1021/jo01289a038

Reference yield: 45.0%

: 105-13-5
4-Methoxybenzyl alcohol

: 140-53-4
p-chlorobenzyl cyanide

: 5422-48-0
2-(4-chloro-phenyl)-3-(4-methoxy-phenyl)-propionitrile

Guidance literature:: With C₁₈H₁₃BrMnN₃O₃S; potassium tert-butylate; In tert-Amyl alcohol; at 140 ℃; for 24h; Inert atmosphere;
DOI:10.1021/acscatal.8b02998

Reference yield:

: 123-11-5
4-methoxy-benzaldehyde

: 5422-48-0
2-(4-chloro-phenyl)-3-(4-methoxy-phenyl)-propionitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / 40 percent aq. NaOH

2: NaBH₄ / dimethylformamide / 25 °C

With sodium hydroxide; sodium tetrahydroborate; In N,N-dimethyl-formamide;
DOI:10.1021/jo01289a038