Benzamide, 2,3-diamino-

Base Information

• Chemical Name: Benzamide, 2,3-diamino-
• CAS No.: 711007-44-2
• Molecular Formula: C7H9N3O
• Molecular Weight: 151.168
• Hs Code.: 29242990
• DSSTox Substance ID: DTXSID50440634
• Wikidata: Q72462643
• Mol file: 711007-44-2.mol

Synonyms:2,3-Diaminobenzamide;

Chemical Property of Benzamide, 2,3-diamino-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.702
• Boiling Point: 315.03 °C at 760 mmHg
• PKA: 16.03±0.50(Predicted)
• Flash Point: 144.325 °C
• PSA: 95.13000
• Density: 1.341g/cm³
• LogP: 1.81260
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.074561919
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99.0% ^*data from raw suppliers

2,3-Diaminobenzamide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzamide, 2,3-diamino-

There total 13 articles about Benzamide, 2,3-diamino- 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: 100.0%

2-amino-3-nitro-benzamide (313279-12-8) → 2,3-diaminobenzamide (711007-44-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1016/j.bmcl.2004.03.017

Reference yield: 79.0%

di-nitrophenylcarboxamide (19613-80-0) → 2,3-diaminobenzamide (711007-44-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide; at 20 ℃; for 16h; under 760 Torr;

DOI:10.1021/jm0495935

Reference yield:

C7H10N4O (1314951-83-1) → 2,3-diaminobenzamide (711007-44-2)

Guidance literature:

nickel; In DMF (N,N-dimethyl-formamide); water; at 100 ℃; for 8h;

upstream raw materials:

2-amino-3-nitro-benzamide

di-nitrophenylcarboxamide

2,3-di-nitrobenzoic acid

3-nitroanthranilic acid

Downstream raw materials:

2-(1-propyl-4-piperidinyl)-1H-benzimidazole-4-carboxamide

Refernces

• 1、 -. "Compound containing benzo five-membered heterocyclic structure and preparation method and application thereof". Paragraph 0106-0111. . Retrieved 2021/08/14.
• 2、 -. "PARP inhibitors containing phthalazin-1(2H)-one structure, and preparation method and medical application thereof". Paragraph 0076; 0078; 0079. . Retrieved 2019/02/04.