4-AMINOBENZANILIDE

Base Information

• Chemical Name: 4-AMINOBENZANILIDE
• CAS No.: 782-45-6
• Molecular Formula: C13H12N2O
• Molecular Weight: 212.251
• Hs Code.: 2924299090
• European Community (EC) Number: 212-313-1
• NSC Number: 50646
• DSSTox Substance ID: DTXSID00999440
• Nikkaji Number: J54.748D
• Wikidata: Q82992476
• ChEMBL ID: CHEMBL277484
• Mol file: 782-45-6.mol

Synonyms:Benzanilide,4-amino- (6CI,7CI,8CI);4-Amino-N-phenylbenzamide;4-Aminobenzanilide;N-Phenyl-4-aminobenzamide;

Chemical Property of 4-AMINOBENZANILIDE

Chemical Property:

• Vapor Pressure: 0.917mmHg at 25°C
• Melting Point: 127-131 °C(lit.)
• Refractive Index: 1.41
• Boiling Point: 321.2 °C at 760 mmHg
• PKA: 14.36±0.70(Predicted)
• Flash Point: 148.1 °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: 228

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38-43
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-AMINOBENZANILIDE

There total 23 articles about 4-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%

4-nitrobenzanilide (3460-11-5) → 4-amino-benzoic acid anilide (782-45-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; under 750.075 Torr;

DOI:10.1021/jm701191z

Reference yield: 93.0%

4-(tert-butoxycarbonylamino)benzamide (877603-31-1) → 4-amino-benzoic acid anilide (782-45-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1021/jm7013088

Reference yield: 84.0%

4-iodo-N-phenylbenzamide (17370-92-2) → 4-amino-benzoic acid anilide (782-45-6)

Guidance literature:

With ammonium hydroxide; copper(ll) sulfate pentahydrate; potassium carbonate; sodium L-ascorbate; In dimethyl sulfoxide; glycerol; at 60 ℃; for 3h;

DOI:10.1002/cjoc.201201240

upstream raw materials:

4-nitrobenzanilide

hydrogenchloride

4-nitro-benzoic acid-(isopropylidene-phenyl-hydrazide)

sulfuric acid

Downstream raw materials:

4-[(2-chloro-9H-purin-6-yl]amino]-N-phenylbenzamide

4-[2,3-di(tert-butoxycarbonyl)guanidino]benzanilide

4-[1,3-di(tert-butoxycarbonyl)-2-imidazolidinylimino]benzanilide

Refernces

• 1、 Barbosa Da Silva, Elany,Rocha, Débora A.,Fortes, Isadora S.,Yang, Wenqian,Monti, Ludovica,Siqueira-Neto, Jair L.,Caffrey, Conor R.,McKerrow, James,Andrade, Saulo F.,Ferreira, Rafaela S.. "Structure-Based Optimization of Quinazolines as Cruzain and TbrCATL Inhibitors". . p. 13054 - 13071. Retrieved 2021/09/13.
• 2、 Zhao, Rong,Dong, Wenwen,Teng, Jiangge,Wang, Zhiwei,Wang, Yunzhong,Yang, Jianguo,Jia, Qiang,Chu, Changhu. "Activated charcoal supported copper nanoparticles: A readily available and inexpensive heterogeneous catalyst for the N-arylation of primary amides and lactams with aryl iodides". supporting information. . Retrieved 2020/12/21.