4-(Benzylideneamino)benzonitrile

Base Information

• Chemical Name: 4-(Benzylideneamino)benzonitrile
• CAS No.: 17224-21-4
• Molecular Formula: C14H10N2
• Molecular Weight: 206.247
• NSC Number: 95601
• DSSTox Substance ID: DTXSID70294257
• Nikkaji Number: J736.252H
• Mol file: 17224-21-4.mol

Synonyms:4-(benzylideneamino)benzonitrile;(E)-4-(Benzylideneamino)benzonitrile;17224-21-4;102904-41-6;NSC95601;benzylidene-p-cyanoaniline;NCIOpen2_005876;SCHEMBL2911783;DTXSID70294257;ANTUKSPNJZPWAA-UHFFFAOYSA-N;NSC-95601

Chemical Property of 4-(Benzylideneamino)benzonitrile

Chemical Property:

• Vapor Pressure: 3.59E-06mmHg at 25°C
• Boiling Point: 386.2°Cat760mmHg
• Flash Point: 187.4°C
• Density: 1.01g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 206.084398327
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N

Technology Process of 4-(Benzylideneamino)benzonitrile

There total 10 articles about 4-(Benzylideneamino)benzonitrile 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: 94.0%

benzaldehyde (100-52-7) + 4-Aminobenzonitrile (873-74-5) → 1-(4-cyanophenyl)-N-phenylmethanimine (17224-21-4)

Guidance literature:

In water; at 20 ℃; for 2h;

DOI:10.1039/b102749m

Reference yield: 62.0%

4-(benzylamino)benzonitrile (10282-32-3) → 1-(4-cyanophenyl)-N-phenylmethanimine (17224-21-4)

Guidance literature:

With carbon dioxide; DBN; Eosin Y; In dimethyl sulfoxide; at 25 - 30 ℃; for 48h; Irradiation;

DOI:10.1021/acscatal.8b03059

Reference yield: 24.0%

benzyl alcohol (100-51-6,185532-71-2) + 4-nitrobenzonitrile (619-72-7) → 1-(4-cyanophenyl)-N-phenylmethanimine (17224-21-4)

Guidance literature:

With oxalic acid; for 0.416667h; Irradiation;

DOI:10.1016/j.jphotochem.2016.02.020

upstream raw materials:

benzaldehyde

4-Aminobenzonitrile

benzyl alcohol

4-nitrobenzonitrile

Downstream raw materials:

(1S,2S)-N-(4-cyanophenyl)-1-phenyl-2-(methylsulfenyl)-2-{2-[(S)-p-tolylsulfinyl]phenyl}ethylamine

(1S,2R)-N-(4-cyanophenyl)-1-phenyl-2-(methylsulfenyl)-2-{2-[(S)-p-tolylsulfinyl]phenyl}ethylamine

(1S,2S)-N-(4-cyanophenyl)-2-(methylsulfenyl)-1,2-diphenylethylamine

(1R)-N-(4-cyanophenyl)-1,2-diphenylethylamine