2,2'-Dicarbomethoxyamino-5-5'-dibenzimidazolyl ketone

Base Information

• Chemical Name: 2,2'-Dicarbomethoxyamino-5-5'-dibenzimidazolyl ketone
• CAS No.: 102342-72-3
• Molecular Formula: C₁₉H₁₆N₆O₅
• Molecular Weight: 408.373
• DSSTox Substance ID: DTXSID80144931
• Nikkaji Number: J492.340E
• Wikidata: Q83009230
• ChEMBL ID: CHEMBL24334
• Mol file: 102342-72-3.mol

Synonyms:2,2'-dicarbomethoxyamino-5-5'-dibenzimidazolyl ketone;compound 82-437

Chemical Property of 2,2'-Dicarbomethoxyamino-5-5'-dibenzimidazolyl ketone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 151.09000
• Density: 1.584g/cm³
• LogP: 3.17280
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 408.11821763
• Heavy Atom Count: 30
• Complexity: 624

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC4=C(C=C3)N=C(N4)NC(=O)OC

Technology Process of 2,2'-Dicarbomethoxyamino-5-5'-dibenzimidazolyl ketone

There total 3 articles about 2,2'-Dicarbomethoxyamino-5-5'-dibenzimidazolyl ketone 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: 65.0%

1,3-Dicarbomethoxy-S-methylisothiourea (34840-23-8) + 3,3',4,4'-tetraaminobenzophenone (5007-67-0) → 2,2'-bis(carbomethoxyamino)-5,5'-dibenzimidazolyl ketone (102342-72-3)

Guidance literature:

In ethanol; for 12h; Heating;

DOI:10.1021/jm00157a032

Reference yield:

4,4'-diamino-3,3'-dinitrobenzophenone (19014-16-5) → C19H16N6O5 (102342-72-3)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Raney nickel / methanol / 760 Torr / Ambient temperature

2: p-toluenesulphonic acid / methanol / 3 h / Heating

With hydrogen; toluene-4-sulfonic acid; nickel; In methanol;

Reference yield:

1,3-Dicarbomethoxy-S-methylisothiourea (34840-23-8) + 3,3',4,4'-tetraaminobenzophenone (5007-67-0) → C19H16N6O5 (102342-72-3)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; for 3h; Yield given; Heating;

upstream raw materials:

1,3-Dicarbomethoxy-S-methylisothiourea

3,3',4,4'-tetraaminobenzophenone

4,4'-diamino-3,3'-dinitrobenzophenone

Refernces

• 1、 Viswanathan, N.,Joshi, B. S.,Gawad, D. H.,Gokhale, U. B.,Sidhaye, A. R.,Rajasekariah, G. R.. "Synthesis and Anthelmintic Activity of Bisbenzimidazole-2-carbamates". . p. 730 - 732. Retrieved 2007/10/02.