N-Benzoylethylenediamine hydrochloride

Base Information

• Chemical Name: N-Benzoylethylenediamine hydrochloride
• CAS No.: 1502-45-0
• Molecular Formula: C9H12 N2 O . Cl H
• Molecular Weight: 200.668
• Hs Code.: 2924299090
• European Community (EC) Number: 814-065-5
• DSSTox Substance ID: DTXSID50507812
• NSC Number: 151193
• Mol file: 1502-45-0.mol

Synonyms:1502-45-0;N-Benzoylethylenediamine hydrochloride;N-(2-aminoethyl)benzamide hydrochloride;N-(2-Aminoethyl)benzamide HCl;N-(2-aminoethyl)benzamide;hydrochloride;Benzamide, N-(2-aminoethyl)-, monohydrochloride;SCHEMBL1579939;DTXSID50507812;BCGXHHYBXMQECD-UHFFFAOYSA-N;BAA50245;MFCD10511533;NSC151193;AKOS015846900;N-(2-aminoethyl)benzamidehydrochloride;BS-4115;NSC-151193;SB78271;N-(2- aminoethyl)benzamide hydrochloride;CS-0215713;EN300-28761;F20112;A1-01272;N-(2-Aminoethyl)benzamide--hydrogen chloride (1/1);Z235363051

Chemical Property of N-Benzoylethylenediamine hydrochloride

Chemical Property:

• Vapor Pressure: 7.05E-06mmHg at 25°C
• Boiling Point: 376.8°Cat760mmHg
• Flash Point: 181.7°C
• PSA: 55.12000
• Density: 1.094g/cm³
• LogP: 2.26830
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.0716407
• Heavy Atom Count: 13
• Complexity: 142

Purity/Quality:

98%min ^*data from raw suppliers

N-(2-aminoethyl)benzamidehydrochloride ^*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-Benzoylethylenediamine hydrochloride

There total 3 articles about N-Benzoylethylenediamine 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: 88.0%

tert-butyl (2-benzamidoethyl)carbamate (1021188-73-7) → N-(2-aminoethyl)benzamide hydrochloride (1502-45-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; ethyl acetate; for 12h;

DOI:10.1016/j.ejmech.2015.06.043

Reference yield: 43.0%

benzoyl chloride (98-88-4) + ethylenediamine (107-15-3,85404-18-8) → N-(2-aminoethyl)benzamide hydrochloride (1502-45-0)

Guidance literature:

In methanol;

DOI:10.1021/jm00076a026

Reference yield:

→ N-(2-aminoethyl)benzamide hydrochloride (1502-45-0)

Guidance literature:

upstream raw materials:

benzoyl chloride

ethylenediamine

tert-butyl (2-benzamidoethyl)carbamate

Downstream raw materials:

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

N-{2-[2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-benzamide

N-{2-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino]-ethyl}-benzamide

Refernces

• 1、 Pagire, Suvarna H.,Pagire, Haushabhau S.,Lee, Gwi Bin,Han, Seo-Jung,Kwak, Hyun Jung,Kim, Ji Young,Kim, Ki Young,Rhee, Sang Dal,Ryu, Jeong Im,Song, Jin Sook,Bae, Myung Ae,Park, Mi-Jin,Kim, Dooseop,Lee, Duck Hyung,Ahn, Jin Hee. "Discovery and optimization of adamantane carboxylic acid derivatives as potent diacylglycerol acyltransferase 1 inhibitors for the potential treatment of obesity and diabetes". . p. 716 - 735. Retrieved 2015/08/04.
• 2、 -. "MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES". Page/Page column 25. . Retrieved 2008/12/05.