Dinaline

Base Information

• Chemical Name: Dinaline
• CAS No.: 58338-59-3
• Molecular Formula: C13H13 N3 O
• Molecular Weight: 227.266
• NSC Number: 328786
• UNII: RG9G4Z82PY
• DSSTox Substance ID: DTXSID3046114
• Nikkaji Number: J33.125B
• Wikidata: Q27288108
• NCI Thesaurus Code: C79870
• ChEMBL ID: CHEMBL1351761
• Mol file: 58338-59-3.mol

Synonyms:4-amino-N-(2'-aminophenyl)benzamide;4-aminobenzoyl-1,2-phenylenediamine;dinaline;Goe 1734;Goe-1734;NSC 328786;PD 104 208;PD 104208

Chemical Property of Dinaline

Chemical Property:

• Vapor Pressure: 1.39E-05mmHg at 25°C
• Melting Point: 180.5°C
• Refractive Index: 1.5600 (estimate)
• Boiling Point: 367.2°Cat760mmHg
• Flash Point: 175.9°C
• PSA: 81.14000
• Density: 1.314g/cm³
• LogP: 3.33870
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 227.105862047
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

4-AMINO-N-(2-AMINOPHENYL)-BENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dinaline

There total 1 articles about Dinaline 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:

→ dinaline (58338-59-3)

Guidance literature:

entspr. Dinitroverb. II, H2, Pd/C;

Reference yield:

dinaline (58338-59-3) → 4-(1H-benzimidazol-2-yl)aniline (2963-77-1) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + 1,2-diamino-benzene (95-54-5)

Guidance literature:

With sulfuric acid; In water; at 90 ℃; Rate constant; effective rate constants in hydrolysis reaction and total rate constants for reactions of hydrolysis and cyclodehydration; further temperatures;

DOI:10.1007/BF00954411

Reference yield:

dinaline (58338-59-3) → 4-(1H-benzimidazol-2-yl)aniline (2963-77-1)

Guidance literature:

In sulfuric acid; at 90 ℃; Rate constant;

Downstream raw materials:

4-(1H-benzimidazol-2-yl)aniline

4-amino-benzoic acid

1,2-diamino-benzene

Refernces

• 1、 -. "N-phenylbenzamide derivatives". . . Retrieved 2008/06/13.