3,4-Diamino-n-phenylbenzamide

Base Information

• Chemical Name: 3,4-Diamino-n-phenylbenzamide
• CAS No.: 93-64-1
• Molecular Formula: C13H13N3O
• Molecular Weight: 227.266
• DSSTox Substance ID: DTXSID30592665
• Wikidata: Q82486888
• Mol file: 93-64-1.mol

Synonyms:3,4-diamino-n-phenylbenzamide;93-64-1;SCHEMBL2949633;3,4-Diamino-N-phenyl-benzamide;DTXSID30592665;QZYWLWLZDOMVDK-UHFFFAOYSA-N

Chemical Property of 3,4-Diamino-n-phenylbenzamide

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 227.105862047
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Diamino-n-phenylbenzamide

There total 7 articles about 3,4-Diamino-n-phenylbenzamide 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: 70.0%

4-amino-3-nitro-N-phenylbenzamide (89790-71-6) → 5-phenylcarbamoyl-1,2-phenylenediamine (93-64-1)

Guidance literature:

With hydrazine hydrate; nickel; In ethanol; for 1h; Heating;

DOI:10.1021/jm00374a025

Reference yield:

3,4-dinitrobenzanilide → 5-phenylcarbamoyl-1,2-phenylenediamine (93-64-1)

Guidance literature:

With hydrogen; 1% Pd/C; In tetrahydrofuran; at 20 ℃; for 20h; under 2625.26 Torr;

Reference yield:

3-nitro-4-acetamidobenzoic acid (1539-06-6) → 5-phenylcarbamoyl-1,2-phenylenediamine (93-64-1)

Guidance literature:

Multi-step reaction with 4 steps

1: SOCl₂ / benzene / 4 h / Heating

2: Et₃N / benzene / 2 h / Ambient temperature

3: 75 percent / 10percent aq. NaOH / ethanol / 1 h / Ambient temperature

4: 70 percent / hydrazine hydrate / Raney Ni / ethanol / 1 h / Heating

With sodium hydroxide; thionyl chloride; hydrazine hydrate; triethylamine; nickel; In ethanol; benzene;

DOI:10.1021/jm00374a025

upstream raw materials:

4-amino-3-nitro-N-phenylbenzamide

3-nitro-4-acetamidobenzoic acid

2'-Nitro-4'-phenylcarbamoylacetanilid

3-nitro-4-acetylaminobenzoyl chloride

Downstream raw materials:

2-(2,6-dichloro-phenylamino)-1H-benzimidazole-5-carboxylic acid phenylamide

(5-Phenylcarbamoyl-1H-benzoimidazol-2-yl)-carbamic acid methyl ester

(5-Phenylcarbamoyl-1H-benzoimidazol-2-yl)-carbamic acid ethyl ester