(3-Chlorobenzyl)cyclopropylamine

Base Information

• Chemical Name: (3-Chlorobenzyl)cyclopropylamine
• CAS No.: 51586-21-1
• Molecular Formula: C10H12ClN
• Molecular Weight: 181.66
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID00405950
• Wikidata: Q72518110
• Mol file: 51586-21-1.mol

Synonyms:51586-21-1;(3-CHLOROBENZYL)CYCLOPROPYLAMINE;N-(3-chlorobenzyl)-N-cyclopropylamine;N-(3-chlorobenzyl)cyclopropanamine;N-[(3-chlorophenyl)methyl]cyclopropanamine;(3-Chloro-benzyl)-cyclopropyl-amine;N-Cyclopropyl-3-chloro-benzylamine;SCHEMBL64031;DTXSID00405950;VALINFAZSMPKJJ-UHFFFAOYSA-N;BCA58621;AKOS000142921;AM100900;CS-0317697;C78274;AN-465/42886907

Chemical Property of (3-Chlorobenzyl)cyclopropylamine

Chemical Property:

• Vapor Pressure: 0.00983mmHg at 25°C
• Boiling Point: 264℃
• Flash Point: 114℃
• PSA: 12.03000
• Density: 1.16
• LogP: 2.98290
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 181.0658271
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

99.90% ^*data from raw suppliers

N-(3-Chlorobenzyl)cyclopropanamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3-Chlorobenzyl)cyclopropylamine

There total 2 articles about (3-Chlorobenzyl)cyclopropylamine 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:

m-Chlorobenzaldehyde (587-04-2) + Cyclopropylamine (765-30-0) → N-(3-chlorobenzyl)-N-cyclopropylamine (51586-21-1)

Guidance literature:

DOI:10.1021/jm900022f

Reference yield:

→ N-(3-chlorobenzyl)-N-cyclopropylamine (51586-21-1)

Guidance literature:

Reference yield: 74.0%

N-(3-chlorobenzyl)-N-cyclopropylamine (51586-21-1) + 1-(N,N-dimethylaminosulfonyl)-1H-1,2,4-triazole-3-sulfonyl chloride (171967-86-5) → N3-[(3-chlorophenyl)methyl]-N3-cyclopropyl-N1,N1-dimethyl-1H-1,2,4-triazole-1,3-disulfonamide

Guidance literature:

With pyridine; In tetrahydrofuran; at 0 - 20 ℃; for 2.17h;

DOI:10.1021/acs.jafc.9b07887

upstream raw materials:

m-Chlorobenzaldehyde

Cyclopropylamine

Downstream raw materials:

N-(3-chlorobenzyl)-4-(4-(2-(2,6-dichlorophenoxy)ethoxy)phenyl)-N-cyclopropyl-6-(hydroxymethyl)-1,2,5,6-tetrahydropyridine-3-carboxamide

N-(3-Chlorobenzyl)-N-cyclopropyl-4-(4-(2-(2,6-dichlorophenoxy)ethoxy)phenyl)-2-(hydroxymethyl)-1,2,5,6-tetrahydropyridine-3-carboxamide