3-Aminobenzanilide

Base Information

• Chemical Name: 3-Aminobenzanilide
• CAS No.: 14315-16-3
• Molecular Formula: C13H12N2O
• Molecular Weight: 212.251
• Hs Code.: 2924299090
• European Community (EC) Number: 238-257-8
• NSC Number: 50645
• UNII: J6W3FN9XB7
• DSSTox Substance ID: DTXSID70162326
• Nikkaji Number: J54.717D
• Wikidata: Q83030964
• ChEMBL ID: CHEMBL39258
• Mol file: 14315-16-3.mol

Synonyms:3-Aminobenzanilide;3-Amino-N-phenylbenzamide;14315-16-3;m-Aminobenzanilide;Benzamide, 3-amino-N-phenyl-;Benzanilide, 3-amino-;3-Aminobenzoic acid anilide;EINECS 238-257-8;BRN 2105161;J6W3FN9XB7;3-Amino-N-phenylbenzamide hydrochloride;3-14-00-00998 (Beilstein Handbook Reference);3-Amino-N-phenyl-benzamide;81415-64-7;NSC50645;m-Aminobenzoesaureanilid;WLN: ZR CVMR;CBMicro_013614;UNII-J6W3FN9XB7;Cambridge id 5249584;Oprea1_075055;3-Amino-N-phenylbenzamide #;Benzamide,3-amino-N-phenyl-;CHEMBL39258;SCHEMBL1352405;DTXSID70162326;SMSF0005399;BBL023047;MFCD00017101;NSC 50645;NSC-50645;STK258684;AKOS000132708;3-Amino-N-phenylbenzamide, AldrichCPR;AC-8810;CB05829;LS-25614;VS-07314;BIM-0013552.P001;FT-0676570;AB00076685-01;SR-01000200940;SR-01000200940-1

Chemical Property of 3-Aminobenzanilide

Chemical Property:

• Vapor Pressure: 0.000254mmHg at 25°C
• Melting Point: 124～125℃
• Refractive Index: 1.688
• Boiling Point: 323.9 °C at 760 mmHg
• Flash Point: 149.7 °C
• PSA: 55.12000
• Density: 1.244 g/cm³
• LogP: 3.17530
• 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:

98%min ^*data from raw suppliers

3-Amino-N-phenylbenzamide ^*data from reagent suppliers

Safty Information:

• Statements: 52/53

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Aminobenzanilide

There total 14 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: 96.0%

5-nitrobenzanilide (2243-73-4) → 3-aminobenzanilide (14315-16-3)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethanol; for 3h; under 2327.23 Torr;

Reference yield: 91.0%

meta-aminobenzoic acid (99-05-8,159139-79-4) + aniline (62-53-3) → 3-aminobenzanilide (14315-16-3)

Guidance literature:

With tetrabutylammomium bromide; caesium carbonate; In water; at 20 ℃; for 0.5h; chemoselective reaction; Electrochemical reaction;

DOI:10.1039/c9gc01391a

Reference yield: 34.4%

3-aminobenzoic acid hydrochloride (15151-51-6) + aniline (62-53-3) → 3-aminobenzanilide (14315-16-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

upstream raw materials:

5-nitrobenzanilide

meta-aminobenzoic acid

aniline

sulfuric acid

Downstream raw materials:

3-Methanesulfonylamino-N-phenyl-benzamide

C₁₅H₁₇N₃O₃S

diethyl ({[3-(anilinocarbonyl)phenyl]amino}methylene)malonate

Refernces

• 1、 Ke, Fang,Xu, Yiwen,Zhu, Suning,Lin, Xiaoyan,Lin, Chen,Zhou, Sunying,Su, Huimin. "Electrochemical: N-acylation synthesis of amides under aqueous conditions". supporting information. p. 4329 - 4333. Retrieved 2019/08/21.
• 2、 -. "HUMAN PLASMA KALLIKREIN INHIBITORS". Page/Page column 168; 169. . Retrieved 2015/11/02.