N-(2-aminoethyl)-4-chlorobenzamide

Base Information

Chemical Name:N-(2-aminoethyl)-4-chlorobenzamide
CAS No.:87235-61-8
Molecular Formula:C9H11ClN2O
Molecular Weight:198.652
Hs Code.:
DSSTox Substance ID:DTXSID101007432
Nikkaji Number:J367.364B
Wikidata:Q27164544
Pharos Ligand ID:T1SCX4PQ4YYL
ChEMBL ID:CHEMBL338404

Synonyms:N-(2-aminoethyl)-4-chlorobenzamide hydrochloride;Ro 16-6491;Ro 16-6491 hydrochloride;Ro 16-6941;Ro-16-6491

Suppliers and Price of N-(2-aminoethyl)-4-chlorobenzamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of N-(2-aminoethyl)-4-chlorobenzamide

Chemical Property:

Vapor Pressure:6.05E-06mmHg at 25°C
Boiling Point:379°C at 760 mmHg
Flash Point:183°C
Density:1.226g/cm³
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:198.0559907
Heavy Atom Count:13
Complexity:167

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)NCCN)Cl

Technology Process of N-(2-aminoethyl)-4-chlorobenzamide

There total 4 articles about N-(2-aminoethyl)-4-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: 96.8%

: 122-01-0
4-chloro-benzoyl chloride

: 107-15-3,85404-18-8
ethylenediamine

: 87235-61-8
N-(2-aminoethyl)-4-chlorobenzamide

Guidance literature:: In dichloromethane; water; at 0 - 10 ℃;
DOI:10.1016/j.bmc.2018.08.024

Reference yield:

: C₁₇H₁₇ClN₂O₃

: 87235-61-8
N-(2-aminoethyl)-4-chlorobenzamide

Guidance literature:: With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 2h;
DOI:10.1016/j.bmc.2020.115493

Reference yield:

: 74-11-3
para-chlorobenzoic acid

: 87235-61-8
N-(2-aminoethyl)-4-chlorobenzamide

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / Heating

2: AcOH / 2 h / 20 °C

With thionyl chloride; acetic acid; 1: Chlorination / 2: Acylation;
DOI:10.1248/cpb.48.808