N-Benzyl(2-chlorophenyl)methanaminium

Base Information

• Chemical Name: N-Benzyl(2-chlorophenyl)methanaminium
• CAS No.: 67342-76-1
• Molecular Formula: C14H14ClN
• Molecular Weight: 231.725
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID30986606
• Mol file: 67342-76-1.mol

Synonyms:DTXSID30986606;N-Benzyl(2-chlorophenyl)methanaminium

Chemical Property of N-Benzyl(2-chlorophenyl)methanaminium

Chemical Property:

• Vapor Pressure: 0.000131mmHg at 25°C
• Refractive Index: 1.59
• 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: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 232.0893022
• Heavy Atom Count: 16
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

Benzyl-(2-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)C[NH2+]CC2=CC=CC=C2Cl

Technology Process of N-Benzyl(2-chlorophenyl)methanaminium

There total 12 articles about N-Benzyl(2-chlorophenyl)methanaminium 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: 91.0%

2-chloro-benzaldehyde (89-98-5) + benzylamine (100-46-9) → N-benzyl-1-(2-chlorophenyl)methanamine (67342-76-1)

Guidance literature:

With hydrogen; In water; at 130 ℃; for 20h; under 33753.4 Torr; Autoclave;

DOI:10.1039/c9sc04963k

Reference yield: 81.0%

2-Chlorobenzonitrile (873-32-5) + benzylamine (100-46-9) → N-benzyl-1-(2-chlorophenyl)methanamine (67342-76-1)

Guidance literature:

With 1,3,2-oxazaborolidine-borane; copper(II) bis(trifluoromethanesulfonate); In water; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.1c02413

Reference yield: 72.0%

benzyl alcohol (100-51-6,185532-71-2) + 2-CHLOROBENZYLAMINE (89-97-4) → N-benzyl-1-(2-chlorophenyl)methanamine (67342-76-1) + C14H12ClN

Guidance literature:

With C₂₆H₃₀N₂NiO₃; sodium hydroxide; In toluene; for 20h; Reflux; Molecular sieve; Inert atmosphere;

DOI:10.1021/acs.organomet.1c00552

upstream raw materials:

2-Chlorobenzyl alcohol

benzylamine

(2-methoxyphenyl)methanol

benzonitrile

Downstream raw materials:

1-benzyl-1-(2-chlorobenzyl)-3,3-dimethylurea

N-(2-chlorobenzylidene)-1-(2-chlorophenyl)methylamine

N-(2-chlorobenzylidene)-1-phenylmethanamine

N-benzylidene benzylamine

Refernces

• 1、 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.
• 2、 Chen, Yan-Fei,Bian, Jiang,Zhang, Peng,Bu, Lu-Lu,Shen, Yan,Yu, Wen-Bo,Lu, Xiu-Hong,Lin, Xin,Ye, De-Yong,Wang, Jian,Chu, Yong. "Design, synthesis and identification of N, N-dibenzylcinnamamide (DBC) derivatives as novel ligands for α-synuclein fibrils by SPR evaluation system". . . Retrieved 2020/02/22.