Benzyl-(4-chloro-benzyl)-amine

Base Information

• Chemical Name: Benzyl-(4-chloro-benzyl)-amine
• CAS No.: 13541-00-9
• Molecular Formula: C14H14ClN
• Molecular Weight: 231.725
• Hs Code.: 2921499090
• European Community (EC) Number: 673-487-6
• Nikkaji Number: J745.308F
• Mol file: 13541-00-9.mol

Synonyms:13541-00-9;Benzyl-(4-chloro-benzyl)-amine;Benzyl-(4-chlorobenzyl)amine;n-benzyl-1-(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-1-phenylmethanamine;Benzenemethanamine, 4-chloro-N-(phenylmethyl)-;Oprea1_071444;Oprea1_259142;benzyl (4-chlorobenzyl)amine;SCHEMBL606264;n-benzyl-n-(4-chlorobenzyl)amine;benzyl[(4-chlorophenyl)methyl]amine;AKOS000227390;SB80651;FT-0636914;Benzenemethanamine,4-chloro-N-(phenylmethyl)-;A806930;SR-01000325707;J-006692;SR-01000325707-1

Chemical Property of Benzyl-(4-chloro-benzyl)-amine

Chemical Property:

• Vapor Pressure: 0.000131mmHg at 25°C
• Boiling Point: 334.1 °C at 760 mmHg
• Flash Point: 155.9 °C
• PSA: 12.03000
• Density: 1.137 g/cm³
• LogP: 4.02070
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 231.0814771
• Heavy Atom Count: 16
• Complexity: 181

Purity/Quality:

99%, ^*data from raw suppliers

Benzyl-(4-chloro-benzyl)-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNCC2=CC=C(C=C2)Cl
• Uses: Benzyl-(4-chloro-benzyl)-amine can be used to prepare to treat cancer, AIDS, and other inflammatory diseases.

Technology Process of Benzyl-(4-chloro-benzyl)-amine

There total 36 articles about Benzyl-(4-chloro-benzyl)-amine 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: 96.0%

benzaldehyde (100-52-7) + 4-chlorobenzylamine (104-86-9) → N-(4-chlorobenzyl)benzylamine (13541-00-9)

Guidance literature:

With ammonia borane; Trimethyl borate; at 20 ℃; for 4h;

DOI:10.1021/acs.joc.0c02143

Reference yield: 95.0%

4-chlorobenzaldehyde (104-88-1) + benzylamine (100-46-9) → N-(4-chlorobenzyl)benzylamine (13541-00-9)

Guidance literature:

With N-1-phenyl-benzotriazole-N-3-borane; In 1,2-dichloro-ethane; at 20 ℃; for 4h;

DOI:10.1039/b915361f

Reference yield: 95.0%

4-chlorobenzylamine (104-86-9) + benzyl alcohol (100-51-6,185532-71-2) → N-(4-chlorobenzyl)benzylamine (13541-00-9)

Guidance literature:

With C₄₈H₇₁IrN₂P₂; In toluene; at 135 ℃; for 24h; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1002/ejic.201500900

upstream raw materials:

N-(4-chlorobenzylidene)benzylamine

benzyl chloride

4-chlorobenzylamine

1-Chloro-4-(chloromethyl)benzene

Downstream raw materials:

C₁₆H₁₅ClN₂

N-[(1E)-(4-chlorophenyl)methylidene]benzenemethanamine

Refernces

• 1、 Amaya-Flórez, Andres,Aranaga, Carlos,D'Vries, Richard F.,Ellena, Javier,Flórez-López, Edwin,Macías, Mario,Pastrana-Dávila, Andrea. "Synthesis, characterization, and antibacterial activity of dibenzildithiocarbamate derivates and Ni(II)–Cu(II) coordination compounds". . . Retrieved 2021/07/28.
• 2、 Han, Zhangang,Hao, Zhiqiang,Lin, Jin,Lu, Guo-Liang,Zhang, Junhua,Zhang, Xiaoying. "Nickel Complexes Bearing N,N,O-Tridentate Salicylaldiminato Ligand: Efficient Catalysts for Imines Formation via Dehydrogenative Coupling of Primary Alcohols with Amines". . p. 3843 - 3853. Retrieved 2021/11/18.