N-(4-chlorobenzyl)cyclopropanamine

Base Information

• Chemical Name: N-(4-chlorobenzyl)cyclopropanamine
• CAS No.: 19271-24-0
• Molecular Formula: C10H12ClN
• Molecular Weight: 181.665
• Hs Code.: 2921499090
• European Community (EC) Number: 820-426-8
• ChEMBL ID: CHEMBL3229271
• DSSTox Substance ID: DTXSID20405957
• Wikidata: Q82210744
• Mol file: 19271-24-0.mol

Synonyms:19271-24-0;N-(4-chlorobenzyl)cyclopropanamine;N-[(4-chlorophenyl)methyl]cyclopropanamine;N-(4-chlorobenzyl)-N-cyclopropylamine;(4-CHLOROBENZYL)CYCLOPROPYLAMINE;Benzenemethanamine, 4-chloro-N-cyclopropyl-;N-Cyclopropyl-4-chloro-benzylamine;(4-Chloro-benzyl)-cyclopropyl-amine;SCHEMBL3236686;CHEMBL3229271;DTXSID20405957;RVXJABFVIDLTSI-UHFFFAOYSA-N;MFCD07408125;AKOS000134242;AM100452;BB 0218437;CS-0216063;FT-0725062;EN300-33126;C78013;AN-465/42886908;N-(4-chlorobenzyl)-N-cyclopropylamine, AldrichCPR;Z86138866;F2169-1187

Chemical Property of N-(4-chlorobenzyl)cyclopropanamine

Chemical Property:

• Vapor Pressure: 0.00983mmHg at 25°C
• Boiling Point: 264.2°C at 760 mmHg
• Flash Point: 113.6°C
• PSA: 12.03000
• Density: 1.16g/cm³
• LogP: 2.98290
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 181.0658271
• Heavy Atom Count: 12
• Complexity: 137

Purity/Quality:

99.90% ^*data from raw suppliers

N-Cyclopropyl-4-chloro-benzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1NCC2=CC=C(C=C2)Cl

Technology Process of N-(4-chlorobenzyl)cyclopropanamine

There total 5 articles about N-(4-chlorobenzyl)cyclopropanamine 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:

N-(4-chlorobenzylidene)cyclopropanamine (1013624-47-9) → N-(4-chlorobenzyl)-N-cyclopropylamine (19271-24-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃;

DOI:10.1081/SCC-120024001

Reference yield:

4-Cyanochlorobenzene (623-03-0) + Cyclopropylamine (765-30-0) → N,N-bis(4-chlorobenzyl)amine (21913-13-3) + N-(4-chlorobenzyl)-N-cyclopropylamine (19271-24-0)

Guidance literature:

With C₂₂H₂₇ClN₃Ru⁽¹⁺⁾*F₆P^(1-); hydrogen; In isopropyl alcohol; at 80 ℃; for 12h; under 45004.5 Torr;

DOI:10.1016/j.jorganchem.2015.12.034

Reference yield:

4-chlorobenzaldehyde (104-88-1) → N-(4-chlorobenzyl)-N-cyclopropylamine (19271-24-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogencarbonate / methanol / 4 h / Heating

2: sodium borohydride / methanol / 0 - 20 °C

With sodium tetrahydroborate; sodium hydrogencarbonate; In methanol;

DOI:10.1081/SCC-120024001

upstream raw materials:

N-(4-chlorobenzylidene)cyclopropanamine

4-chlorobenzaldehyde

Cyclopropylamine

4-Cyanochlorobenzene