Benzimidazo(2,1-b)quinazolin-12(5H)-one

Base Information

• Chemical Name: Benzimidazo(2,1-b)quinazolin-12(5H)-one
• CAS No.: 4149-00-2
• Molecular Formula: C14H9N3O
• Molecular Weight: 235.245
• DSSTox Substance ID: DTXSID90194381
• Nikkaji Number: J1.621.056K
• Wikidata: Q83067137
• Mol file: 4149-00-2.mol

Synonyms:Benzimidazo(2,1-b)quinazolin-12(5H)-one;benzimidazo[2,1-b]quinazolin-12(6H)-one;4149-00-2;benzimidazo[2,1-b]quinazolin-12(5H)-one;C14H9N3O;SCHEMBL824364;SCHEMBL11827448;DTXSID90194381;STK399815;STL426855;AKOS000313768;AKOS003661520;benzimidazo[2,1-b]quinazolin-12-one;benzimidazo[2,1-b]quinazolin-12(6H)one;LS-33393;Benzoimidazo[2,1-b]quinazoline-12(5H)-one;SR-01000261986;SR-01000261986-1

Chemical Property of Benzimidazo(2,1-b)quinazolin-12(5H)-one

Chemical Property:

• Vapor Pressure: 5.47E-08mmHg at 25°C
• Boiling Point: 441.4°Cat760mmHg
• Flash Point: 220.7°C
• Density: 1.45g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 235.074561919
• Heavy Atom Count: 18
• Complexity: 406

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4NC3=N2

Technology Process of Benzimidazo(2,1-b)quinazolin-12(5H)-one

There total 8 articles about Benzimidazo(2,1-b)quinazolin-12(5H)-one 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: 85.0%

isatoic anhydride (118-48-9) + 1,2-diamino-benzene (95-54-5) → 2-(aminophenyl)benzimidazole (5805-39-0) + 6H-benzimidazo<2,1-b>quinazolin-12-one (4149-00-2)

Guidance literature:

With sodium acetate; In acetic acid; for 2h; Heating;

DOI:10.1081/SCC-100106216

Reference yield: 56.0%

3-(2-nitrophenyl)quinazolin-4(3H)-one → 3-(2-aminophenyl)quinazolin-4(3H)-one + benzimidazo<2,1-b>quinazolin-12(5H)-one (4149-00-2)

Guidance literature:

With sodium dithionite; In 1,4-dioxane; water; for 20h; Time; Reflux;

DOI:10.1016/j.tetlet.2021.153327

Reference yield: 10.0%

thiophosgene (463-71-8) + N-<2-aminobenzoil>-o-fenilendiamina (54255-86-6) → 3-(2'-isothiocyanatophenyl)-2,4-dioxoquinazoline (79588-23-1) + benzimidazo<2,1-b>quinazolin-12(5H)-one (4149-00-2)

Guidance literature:

With hydrogenchloride; acetic acid; In chloroform; for 12h; Ambient temperature;

upstream raw materials:

isatoic anhydride

1,2-diamino-benzene

thiophosgene

N-<2-aminobenzoil>-o-fenilendiamina

Downstream raw materials:

6-(2-oxo-2-phenyl-ethyl)-6H-benzo[4,5]imidazo[2,1-b]quinazolin-12-one

5-benzylbenzimidazo[2,1-b]quinazolin-12(5H)-one

6-Ethyl-benzimidazo<1,2-b>chinazolin-12(6H)-on

10-Benzyl-10H-4b,10,11-triaza-benzo[b]fluoren-5-one