3'-Aminobenzanilide

Base Information

• Chemical Name: 3'-Aminobenzanilide
• CAS No.: 16091-26-2
• Molecular Formula: C13H12N2O
• Molecular Weight: 212.251
• Hs Code.: 2924299090
• European Community (EC) Number: 240-254-1
• DSSTox Substance ID: DTXSID3066009
• Nikkaji Number: J62.897B
• Wikidata: Q72437884
• Mol file: 16091-26-2.mol

Synonyms:3'-Aminobenzanilide;16091-26-2;N-(3-aminophenyl)benzamide;Benzamide, N-(3-aminophenyl)-;3/'-Aminobenzanilide;m-benzoylaminoaniline;EINECS 240-254-1;MFCD00071750;m-Aminobenzaniline;3\'-Aminobenzanilide;Benzanilide, 3'-amino-;N-Benzoyl-m-phenylendiamin;Oprea1_825760;SCHEMBL394748;Benzamide,N-(3-aminophenyl)-;N-(3-amino-phenyl)-benzamide;DTXSID3066009;HMS1607K04;BBL000074;STK003561;AKOS000108299;CS-W015003;s10564;AS-14799;AM20030081;BB 0245317;FT-0628140;EN300-35944;A810203;SR-01000389413;SR-01000389413-1;W-107974;Z57441670

Chemical Property of 3'-Aminobenzanilide

Chemical Property:

• Appearance/Colour: white crystalline and tastes slightly bitter and astringent
• Vapor Pressure: 0.000685mmHg at 25°C
• Melting Point: 124-125 °C
• Refractive Index: 1.688
• Boiling Point: 308.3 °C at 760 mmHg
• PKA: 13.22±0.70(Predicted)
• Flash Point: 140.3 °C
• PSA: 55.12000
• Density: 1.244 g/cm³
• LogP: 3.17530
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.094963011
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

3''-Aminobenzanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)N

Technology Process of 3'-Aminobenzanilide

There total 15 articles about 3'-Aminobenzanilide 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: 93.0%

N-(3-nitrophenyl)benzamide (4771-08-8) → N-Benzoyl-m-phenylendiamin (16091-26-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; for 6h; under 1034.32 Torr;

DOI:10.1055/s-0032-1316670

Reference yield: 92.0%

benzamide (55-21-0,27208-38-4) + m-Bromoaniline (591-19-5) → N-Benzoyl-m-phenylendiamin (16091-26-2)

Guidance literature:

With copper(l) iodide; dimethylaminoacetic acid; potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.3390/molecules190913448

Reference yield: 68.0%

N-(3-((4-methylphenyl)sulfonamido)phenyl)benzamide → N-Benzoyl-m-phenylendiamin (16091-26-2)

Guidance literature:

With trifluorormethanesulfonic acid; In 1,2-dichloro-ethane; at 25 - 90 ℃; for 70h; Inert atmosphere;

DOI:10.1021/acs.joc.7b02507

upstream raw materials:

N-(3-nitrophenyl)benzamide

m-phenylenediamine

benzoyl chloride

(3-aminophenyl)carbamic acid tert-butyl ester

Downstream raw materials:

3-phthalimido-benzoic acid anilide

1-benzoylamino-3-(3-oxo-3-phenyl-propionylamino)-benzene

3'-<(dimethylsulfamoyl)amino>benzanilide

3-Benzamido-N,N-diethyl-anilin

Refernces

• 1、 Ibrahim, Marwa A,George, Riham F,Abou-Seri, Sahar M,El-Moghazy, Samir M. "Synthesis of new phenolic compounds and biological evaluation as antiproliferative agents". . p. 181 - 192. Retrieved 2020/01/06.
• 2、 Schoene, Jens,Gazzi, Thais,Lindemann, Peter,Christmann, Mathias,Volkamer, Andrea,Nazaré, Marc. "Probing 2H-Indazoles as Templates for SGK1, Tie2, and SRC Kinase Inhibitors". . p. 1514 - 1527. Retrieved 2019/08/07.