N,N-Bis(3-chlorobenzyl)amine

Base Information

• Chemical Name: N,N-Bis(3-chlorobenzyl)amine
• CAS No.: 129041-31-2
• Molecular Formula: C₁₄H₁₃Cl₂N
• Molecular Weight: 266.17
• European Community (EC) Number: 681-186-6,932-512-3
• DSSTox Substance ID: DTXSID70427280
• Nikkaji Number: J1.014.529E
• Wikidata: Q82239970
• Mol file: 129041-31-2.mol

Synonyms:Bis(3-chlorobenzyl)amine;129041-31-2;N,N-Bis(3-chlorobenzyl)amine;1-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]methanamine;Benzenemethanamine, 3-chloro-N-[(3-chlorophenyl)methyl]-;bis[(3-chlorophenyl)methyl]amine;SCHEMBL7066938;DTXSID70427280;MFCD00671501;AKOS008989465;AS-70123;B1793;CS-0324603;N-(3-chlorobenzyl)(3-chlorophenyl)methanamine;T70191

Chemical Property of N,N-Bis(3-chlorobenzyl)amine

Chemical Property:

• Vapor Pressure: 1.97E-05mmHg at 25°C
• Refractive Index: 1.5880 to 1.5910
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 265.0425048
• Heavy Atom Count: 17
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

N,N-bis(3-Chlorobenzyl)amine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)CNCC2=CC(=CC=C2)Cl

Technology Process of N,N-Bis(3-chlorobenzyl)amine

There total 17 articles about N,N-Bis(3-chlorobenzyl)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: 92.0%

C-(3-Chloro-phenyl)-N,N'-bis-[1-(3-chloro-phenyl)-meth-(E)-ylidene]-methanediamine → N,N-bis(3-chlorobenzyl)amine (129041-31-2)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2008.09.048

Reference yield: 90.0%

N-(3-chlorobenzylidene)-1-(3-chlorophenyl)methylamine (161723-68-8) → N,N-bis(3-chlorobenzyl)amine (129041-31-2)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 20 ℃; for 18h;

DOI:10.1039/a802406e

Reference yield: 89.0%

m-chlorobenzylamine (4152-90-3) → N,N-bis(3-chlorobenzyl)amine (129041-31-2)

Guidance literature:

With {[(PCy₃)(CO)RuH]₄(μ-O)(μ-OH)₂}; 4-tert-Butylcatechol; In chlorobenzene; at 130 ℃; for 16h; chemoselective reaction; Glovebox; Schlenk technique; Sealed tube;

DOI:10.1021/acs.joc.8b00649

upstream raw materials:

3-chloro-benzonitrile

3-chlorobenzaldehyde N-[-(3-chlorophenyl)methylidene]hydrazone

toluene

N-(3-chlorobenzylidene)-1-(3-chlorophenyl)methylamine

Downstream raw materials:

N-(3-chlorobenzylidene)-1-(3-chlorophenyl)methylamine

N-(4-chlorobenzylidene)-4-chlorobenzylamine

m-Chlorobenzaldehyde

3-(3-chlorobenzyl)-1H-indole

Refernces

• 1、 Jin, Sen,Wang, Hui,Li, Lei,Luo, Xiao,Sun, Xianshun,Zuo, Ming,Tian, Jie,Zhang, Xiaodong,Xie, Yi. "Surface modification boosts exciton extraction in confined layered structure for selective oxidation reaction". . p. 1964 - 1969. Retrieved 2021/10/25.
• 2、 Zhao, Xiaopeng,Liang, Siyu,Fan, Xing,Yang, Tonghao,Yu, Wei. "Iron-Catalyzed Intramolecular C-H Amination of α-Azidyl Amides". supporting information. p. 1559 - 1563. Retrieved 2019/03/20.