2-amino-N-(3-chlorophenyl)benzamide

Base Information

• Chemical Name: 2-amino-N-(3-chlorophenyl)benzamide
• CAS No.: 22312-61-4
• Molecular Formula: C13H11 Cl N2 O
• Molecular Weight: 246.696
• Hs Code.: 2924299090
• European Community (EC) Number: 657-211-1
• DSSTox Substance ID: DTXSID00352177
• Nikkaji Number: J1.017.624G
• Wikidata: Q72434643
• Pharos Ligand ID: VNSB79SCH9QJ
• ChEMBL ID: CHEMBL2263368
• Mol file: 22312-61-4.mol

Synonyms:2-amino-N-(3-chlorophenyl)benzamide;22312-61-4;CHEMBL2263368;Cambridge id 5865647;Oprea1_001309;SCHEMBL472983;DTXSID00352177;PODFNAVRZPMCEM-UHFFFAOYSA-N;BDBM50116708;MFCD02063045;N-(3-chlorophenyl)-2-aminobenzamide;STK723028;AKOS000122438;LS-08645;CS-0151388;FT-0742681;EN300-06924;D83865;AB00099707-01;A816098;AQ-360/11649218;SR-01000222264;SR-01000222264-1;Z56040697

Chemical Property of 2-amino-N-(3-chlorophenyl)benzamide

Chemical Property:

• Vapor Pressure: 0.000118mmHg at 25°C
• Melting Point: 137-138 °C
• Boiling Point: 335.7°Cat760mmHg
• PKA: 12.57±0.70(Predicted)
• Flash Point: 156.8°C
• PSA: 55.12000
• Density: 1.351g/cm³
• LogP: 3.82870
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 246.0559907
• Heavy Atom Count: 17
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-N-(3-chlorophenyl)benzamide ^*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)NC2=CC(=CC=C2)Cl)N

Technology Process of 2-amino-N-(3-chlorophenyl)benzamide

There total 7 articles about 2-amino-N-(3-chlorophenyl)benzamide 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: 94.5%

2-nitro-N-(3-chlorophenyl)benzamide (73544-84-0) → 2-amino-N-(3-chlorophenyl)benzamide (22312-61-4)

Guidance literature:

With palladium on activated charcoal; ammonium formate; In ethanol; at 80 ℃; for 3h;

Reference yield: 19.34%

3-chloro-aniline (108-42-9) + 2-aminobenzoyl chloride (21563-73-5) → 2-amino-N-(3-chlorophenyl)benzamide (22312-61-4)

Guidance literature:

In diethyl ether; at 0 - 10 ℃; for 0.5h;

DOI:10.1007/s00044-010-9537-5

Reference yield:

isatoic anhydride (118-48-9) + 3-chloro-aniline (108-42-9) → 2-amino-N-(3-chlorophenyl)benzamide (22312-61-4)

Guidance literature:

at 125 ℃;

DOI:10.1021/jo01183a007

upstream raw materials:

isatoic anhydride

3-chloro-aniline

anthranilic acid

2-aminobenzoyl chloride

Downstream raw materials:

3-(3-chlorophenyl)quinazolin-4(3H)-one

N-(3-chloro-phenyl)-2-nicotinoylamino-benzamide

3-(3-chlorophenyl)benzo[d][1,2,3]triazin-4(3H)-one

Refernces

• 1、 -. "Method for reducing aromatic nitro into arylamine". Paragraph 0169-0172. . Retrieved 2020/07/15.
• 2、 Barak, Dinesh S.,Mukhopadhyay, Sushobhan,Dahatonde, Dipak J.,Batra, Sanjay. "NaNO2/I2 as an alternative reagent for the synthesis of 1,2,3-benzotriazin-4(3H)-ones from 2-aminobenzamides". . p. 248 - 251. Retrieved 2019/01/04.