4-[(4-Methoxybenzylidene)amino]benzonitrile

Base Information

• Chemical Name: 4-[(4-Methoxybenzylidene)amino]benzonitrile
• CAS No.: 13036-19-6
• Molecular Formula: C15H12 N2 O
• Molecular Weight: 236.273
• Hs Code.: 2926909090
• European Community (EC) Number: 235-900-4
• DSSTox Substance ID: DTXSID7065330
• Nikkaji Number: J151.178E
• Mol file: 13036-19-6.mol

Synonyms:4-[(4-Methoxybenzylidene)amino]benzonitrile;13036-19-6;p-Methoxybenzylidene p-cyanoaniline;4-[(4-methoxyphenyl)methylideneamino]benzonitrile;Benzonitrile, 4-[[(4-methoxyphenyl)methylene]amino]-;p-Anisylidene-p-cyanoaniline;4-(p-Anisalamino)benzonitrile;EINECS 235-900-4;4'-Methoxybenzylideneaminobenzonitrile;4-((4-Methoxybenzylidene)amino)benzonitrile;Benzonitrile, 4-(((4-methoxyphenyl)methylene)amino)-;98986-84-6;4-(4-Methoxybenzylidene)-4-cyanoaniline;SCHEMBL2482981;DTXSID7065330;4-Methoxybenzyliden-4-cyanoanilin;N-(p-Anisylidene)-4-cyanoaniline;MFCD00037167;4-[(p-Anisylidene)amino]benzonitrile;AKOS003408348;p-[(p-Methoxybenzylidene)amino]benzonitrile;CS-0183035;FT-0676033;M0604;T71698;4-([(E)-(4-Methoxyphenyl)methylidene]amino)benzonitrile #;4-(((1e)-(4-methoxyphenyl)methylidene)amino)benzonitrile (en)

Chemical Property of 4-[(4-Methoxybenzylidene)amino]benzonitrile

Chemical Property:

• Vapor Pressure: 3.01E-07mmHg at 25°C
• Boiling Point: 419.6°Cat760mmHg
• Flash Point: 207.5°C
• PSA: 45.38000
• Density: 1.05g/cm³
• LogP: 3.31748
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 236.094963011
• Heavy Atom Count: 18
• Complexity: 315

Purity/Quality:

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

4-[(4-Methoxybenzylidene)amino]benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N

Technology Process of 4-[(4-Methoxybenzylidene)amino]benzonitrile

There total 2 articles about 4-[(4-Methoxybenzylidene)amino]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: 98.0%

4-methoxy-benzaldehyde (123-11-5) + 4-Aminobenzonitrile (873-74-5) → p-methoxybenzylidene-p-cyano-aniline (13036-19-6)

Guidance literature:

With TiO₂ nanotubes; at 20 ℃; for 8h; Neat (no solvent); Sunlight;

DOI:10.1016/j.cclet.2010.11.017

Reference yield:

→ p-methoxybenzylidene-p-cyano-aniline (13036-19-6)

Guidance literature:

p-Methoxy-benzaldehyd, p-Cyan-anilin (Bzl., Benzolsulfonsaeure);

DOI:10.1021/jo01273a030

Reference yield: 95.0%

p-methoxybenzylidene-p-cyano-aniline (13036-19-6) → 4-((4-methoxybenzyl)amino)benzonitrile (271242-72-9)

Guidance literature:

With hydrogen; In isopropyl alcohol; at 50 ℃; for 24h;

upstream raw materials:

4-methoxy-benzaldehyde

4-Aminobenzonitrile

Downstream raw materials:

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

C₃₀H₂₈N₂O₅S₂

4-((4-methoxybenzyl)amino)benzonitrile

Refernces

• 1、 Arroyo, Yolanda,Sanz-Tejedor, M. Ascension,Alonso, Ines,Garcia-Ruano, Jose L.. "Synthesis of optically pure vic-sulfanyl amines mediated by a remote sulfinyl group". supporting information; experimental part. p. 4534 - 4537. Retrieved 2011/10/09.
• 2、 Choudary, L. V.,Rao, J. V.,Rao, K. R. K.,Venkatacharyulu, P.. "Investigations on Certain Physical Properties in MBCA and EBCA". . p. 839 - 849. Retrieved 2007/10/02.