4-Chlorobenzylamine hydrochloride

Base Information

• Chemical Name: 4-Chlorobenzylamine hydrochloride
• CAS No.: 42365-43-5
• Molecular Formula: C7H8ClN.ClH
• Molecular Weight: 178.061
• Hs Code.: 2921499090
• European Community (EC) Number: 610-019-1
• DSSTox Substance ID: DTXSID60332516
• Mol file: 42365-43-5.mol

Synonyms:4-CHLOROBENZYLAMINE HYDROCHLORIDE;42365-43-5;(4-chlorophenyl)methanamine hydrochloride;(4-chlorophenyl)methanamine;hydrochloride;1-(4-CHLOROPHENYL)METHANAMINE HYDROCHLORIDE;p-Chlorobenzylamine, hydrochloride;SCHEMBL927415;DTXSID60332516;AKOS023552987;(4-chlorophenyl)methanaminehydrochloride;E84185

Chemical Property of 4-Chlorobenzylamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.139mmHg at 25°C
• Melting Point: 259 °C
• Boiling Point: 216.6oC at 760 mmHg
• Flash Point: 92.6oC
• PSA: 26.02000
• LogP: 3.30100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.0112047
• Heavy Atom Count: 10
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

(4-Chlorophenyl)methanaminehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)Cl.Cl

Technology Process of 4-Chlorobenzylamine hydrochloride

There total 20 articles about 4-Chlorobenzylamine hydrochloride 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: 99.0%

4-Cyanochlorobenzene (623-03-0) → (4-chlorophenyl)methanamine hydrochloride (42365-43-5)

Guidance literature:

4-Cyanochlorobenzene; With [2,6-η6:η1-bis(2,4,6-trimethylphenyl)phenylthiolato]triethylphosphineruthenium(II)tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; diethylphenylsilane; at 20 ℃; for 18h; Glovebox; Inert atmosphere;

With hydrogenchloride; In diethyl ether; at 20 ℃; for 1h; Glovebox; Inert atmosphere;

DOI:10.1055/s-0036-1588441

Reference yield: 97.0%

4-chlorobenzamide (619-56-7) → (4-chlorophenyl)methanamine hydrochloride (42365-43-5)

Guidance literature:

4-chlorobenzamide; With [(aNHC)KN(SiMe₃)₂]₂; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In toluene; at 40 ℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique;

With water; sodium hydroxide; In diethyl ether; toluene; at 40 ℃; for 1h; Inert atmosphere; Glovebox; Schlenk technique;

With hydrogenchloride; In diethyl ether; water; Inert atmosphere; Glovebox; Schlenk technique;

DOI:10.1039/c9sc05953a

Reference yield: 92.0%

4-chlorobenzyl azide (27032-10-6) → (4-chlorophenyl)methanamine hydrochloride (42365-43-5)

Guidance literature:

With thiamine diphosphate; In methanol; at 80 ℃; for 1h;

DOI:10.1081/SCC-120030322

upstream raw materials:

N,N'-bis(4-chlorobenzyl)urea

ethyl (4-chlorobenzyl)carbamate

4-Cyanochlorobenzene

2,2-dimethyl-4-oxohexanoic acid

Downstream raw materials:

4-chloro-N-(4-chlorobenzyl)salicylamide

N₅-octyl-N₅-methyl-N₁-(4-chlorobenzyl)biguanide

4,6-diamino-1-(4'-chlorobenzyl)-2-ethyl-2-methyl-1,2-dihydro-1,3,5-triazine hydrochloride

4,6-diamino-1-(4'-chlorobenzyl)-2-cyclopropyl-2-methyl-1,2-dihydro-1,3,5-triazine hydrochloride

Refernces

• 1、 Bera, Jitendra K.,Pandey, Pragati. "Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex". supporting information. p. 9204 - 9207. Retrieved 2021/09/20.
• 2、 Zhao, Lixing,Hu, Chenyang,Cong, Xuefeng,Deng, Gongda,Liu, Liu Leo,Luo, Meiming,Zeng, Xiaoming. "Cyclic (Alkyl)(amino)carbene Ligand-Promoted Nitro Deoxygenative Hydroboration with Chromium Catalysis: Scope, Mechanism, and Applications". supporting information. p. 1618 - 1629. Retrieved 2021/01/25.