N-(2-Aminoethyl)-2-chlorobenzamide

Base Information

• Chemical Name: N-(2-Aminoethyl)-2-chlorobenzamide
• CAS No.: 65389-77-7
• Molecular Formula: C9H11ClN2O
• Molecular Weight: 198.652
• Hs Code.: 2924299090
• ChEMBL ID: CHEMBL130138
• DSSTox Substance ID: DTXSID40515623
• Nikkaji Number: J566.695C
• Wikidata: Q82376584
• Mol file: 65389-77-7.mol

Synonyms:N-(2-Aminoethyl)-2-chlorobenzamide;65389-77-7;CHEMBL130138;SCHEMBL4706604;DTXSID40515623;AKOS000143565;BS-38310;CS-0286791;EN300-29399;N-(2-Aminoethyl)-2-chlorobenzamide, AldrichCPR;A1-47889

Chemical Property of N-(2-Aminoethyl)-2-chlorobenzamide

Chemical Property:

• Vapor Pressure: 1.52E-05mmHg at 25°C
• PSA: 55.12000
• LogP: 2.11970
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.0559907
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

98% ^*data from raw suppliers

N-(2-aminoethyl)-2-chlorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NCCN)Cl

Technology Process of N-(2-Aminoethyl)-2-chlorobenzamide

There total 4 articles about N-(2-Aminoethyl)-2-chlorobenzamide 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: 85.0%

1-(2-chloro-benzoyl)-1H-imidazole (67333-74-8) + ethylenediamine (107-15-3,85404-18-8) → N-(2-aminoethyl)-2-chlorobenzamide (65389-77-7)

Guidance literature:

With ethylenediamine hydrochloride; sodium chloride; In water; at 20 ℃; for 4h;

Reference yield:

1,2-diaminoethane dihydrochloride (333-18-6) + ethylenediamine (107-15-3,85404-18-8) + ortho-chlorobenzoic acid (118-91-2) → N-(2-aminoethyl)-2-chlorobenzamide (65389-77-7)

Guidance literature:

ortho-chlorobenzoic acid; With 1,1'-carbonyldiimidazole;

1,2-diaminoethane dihydrochloride; ethylenediamine; With sodium chloride; at 20 ℃;

DOI:10.1016/j.bmcl.2015.08.013

Reference yield:

ethylenediamine (107-15-3,85404-18-8) → N-(2-aminoethyl)-2-chlorobenzamide (65389-77-7)

Guidance literature:

at 90 ℃;

upstream raw materials:

ethylenediamine

1,2-diaminoethane dihydrochloride

ortho-chlorobenzoic acid

1-(2-chloro-benzoyl)-1H-imidazole

Downstream raw materials:

2-Chloro-N-[2-(2-hydroxy-3-phenoxy-propylamino)-ethyl]-benzamide

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