N-Benzylidene-4-chloroaniline

Base Information

• Chemical Name: N-Benzylidene-4-chloroaniline
• CAS No.: 780-21-2
• Molecular Formula: C13H10ClN
• Molecular Weight: 215.682
• European Community (EC) Number: 636-079-9
• NSC Number: 95597
• Nikkaji Number: J309.044B
• Mol file: 780-21-2.mol

Synonyms:4-chloro-N-(phenylmethylene)benzeneamine;N-benzylidene-4-chloroaniline;NBE4CA

Chemical Property of N-Benzylidene-4-chloroaniline

Chemical Property:

• Vapor Pressure: 0.000146mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 342.7 °C at 760 mmHg
• Flash Point: 161.1 °C
• PSA: 12.36000
• Density: 1.08 g/cm³
• LogP: 4.09060
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 215.0501770
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

N-BENZYLIDENE-4-CHLOROANILINE, TECH. Aldrich ^*data from reagent 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)Cl

Technology Process of N-Benzylidene-4-chloroaniline

There total 53 articles about N-Benzylidene-4-chloroaniline 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: 100.0%

benzaldehyde (100-52-7) + 4-chloro-aniline (106-47-8) → N-(4-chlorobenzylidene)aniline (780-21-2)

Guidance literature:

With acetic acid; In 1,2-dichloro-ethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.bmc.2009.11.060

Reference yield: 99.0%

4-chloro-aniline (106-47-8) + benzyl alcohol (100-51-6,185532-71-2) → N-(4-chlorobenzylidene)aniline (780-21-2)

Guidance literature:

With Au/Zn_0.02Al₂O₃; In toluene; at 60 ℃; for 8h; under 760.051 Torr;

DOI:10.1016/j.jcat.2019.07.027

Reference yield: 86.0%

4-chloro-aniline (106-47-8) + benzylamine (100-46-9) → N-(4-chlorobenzylidene)aniline (780-21-2)

Guidance literature:

With oxygen; iron(II) bromide; In neat (no solvent); at 110 ℃; for 8h; Green chemistry;

DOI:10.1007/s10562-016-1789-3

upstream raw materials:

N-(α-bromo-benzyl)-4-chloro-aniline

benzaldehyde

4-chloro-aniline

N-(4-chlorophenyl)-α-phenylnitrone

Downstream raw materials:

diethyl {[(4-chlorophenyl)amino](phenyl)methyl}phosphonate

(N-benzoyl-4-chloro-anilino)-phenyl-acetonitrile

N-acetyl-p-chloroanilinophenylacetontrile

[α-(4-chloro-anilino)-benzyl]-malonic acid diethyl ester

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