N-benzyl-2,4-dichloroaniline

Base Information

• Chemical Name: N-benzyl-2,4-dichloroaniline
• CAS No.: 88450-68-4
• Molecular Formula: C13H11Cl2N
• Molecular Weight: 252.143
• DSSTox Substance ID: DTXSID90537416
• Wikidata: Q82412401
• Mol file: 88450-68-4.mol

Synonyms:N-benzyl-2,4-dichloroaniline;88450-68-4;SCHEMBL5700244;DTXSID90537416;AKOS002623377;2-(2',6'-dichlorphenylamino) methylbenzene

Chemical Property of N-benzyl-2,4-dichloroaniline

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 251.0268547
• Heavy Atom Count: 16
• Complexity: 204

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=C(C=C(C=C2)Cl)Cl

Technology Process of N-benzyl-2,4-dichloroaniline

There total 4 articles about N-benzyl-2,4-dichloroaniline 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: 92.0%

2,4-Dichloroaniline (554-00-7,51908-09-9) + benzaldehyde (100-52-7) → N-benzyl-2,4-dichlorobenzenamine (88450-68-4)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; silver trifluoromethanesulfonate; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1039/c5cy02159f

Reference yield: 88.0%

N-benzylidene-2,4-dichloro-aniline (15110-97-1) → N-benzyl-2,4-dichlorobenzenamine (88450-68-4)

Guidance literature:

With methanol; [pentamethylcyclopentadienyl*Ir(2,2′-bpyO)(OH)][Na]; at 66 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.9b02957

Reference yield: 87.0%

2,4-Dichloroaniline (554-00-7,51908-09-9) + benzyl alcohol (100-51-6,185532-71-2) → N-benzyl-2,4-dichlorobenzenamine (88450-68-4)

Guidance literature:

With bis(μ-chloro)-bis[1,3-di(2-pyridyl)-4,6-dimethylbenzene-N,C(2'),N-iridium chloride]; caesium carbonate; In tert-Amyl alcohol; for 12h; Reflux;

DOI:10.1021/acs.joc.6b02758

upstream raw materials:

2,4-Dichloroaniline

benzaldehyde

benzyl alcohol

N-benzylidene-2,4-dichloro-aniline

Downstream raw materials:

N-Benzyl-N-(2,4-dichloro-phenyl)-formamide

C₁₄H₁₀Cl₃NO