(E)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile

Base Information

• Chemical Name: (E)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
• CAS No.: 72030-11-6
• Molecular Formula: C16H12 Cl N O
• Molecular Weight: 269.73
• European Community (EC) Number: 662-332-8
• NSC Number: 56081
• Mol file: 72030-11-6.mol

Synonyms:72030-11-6;(E)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile;(2E)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile;p-Methoxybenzylidene-p-chlorophenylacetonitrile;NSC56081;TIMTEC-BB SBB003041;NSC-56081;AKOS000265636;(2E)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-propenenitrile

Chemical Property of (E)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile

Chemical Property:

• Vapor Pressure: 3.54E-07mmHg at 25°C
• Melting Point: 127.5-128.5 °C
• Boiling Point: 417.4°C at 760 mmHg
• Flash Point: 206.3°C
• PSA: 33.02000
• Density: 1.215g/cm³
• LogP: 4.41278
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 269.0607417
• Heavy Atom Count: 19
• Complexity: 354

Purity/Quality:

98%,99%, ^*data from raw suppliers

ALPHA-(4-CHLOROPHENYL)-4-METHOXYCINNAMONITRILE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)Cl
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C(/C#N)\C2=CC=C(C=C2)Cl

Technology Process of (E)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile

There total 3 articles about (E)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile 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:

1-Chloro-4-(chloromethyl)benzene (104-83-6) → 2-(4-chloro-phenyl)-3-(4-methoxy-phenyl)-acrylonitrile (72030-11-6)

Guidance literature:

Multi-step reaction with 2 steps

1: alcohol; water

2: alkali

With ethanol; water;

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → 2-(4-chloro-phenyl)-3-(4-methoxy-phenyl)-acrylonitrile (72030-11-6)

Guidance literature:

Multi-step reaction with 3 steps

1: durch Chlorieren

2: alcohol; water

3: alkali

With ethanol; water;

Reference yield:

4-methoxy-benzaldehyde (123-11-5) + p-chlorobenzyl cyanide (140-53-4) → 2-(4-chloro-phenyl)-3-(4-methoxy-phenyl)-acrylonitrile (72030-11-6)

Guidance literature:

With alkali;

upstream raw materials:

4-methoxy-benzaldehyde

p-chlorobenzyl cyanide

1-Chloro-4-(chloromethyl)benzene

toluene