Thiazolobenzimidazole

Base Information

• Chemical Name: Thiazolobenzimidazole
• CAS No.: 138226-12-7
• Molecular Formula: C15H10 F2 N2 S
• Molecular Weight: 288.321
• NSC Number: 676949,676948,625487
• UNII: HN0DRZ71T8
• DSSTox Substance ID: DTXSID30930028
• Nikkaji Number: J418.909D
• ChEMBL ID: CHEMBL53554
• Mol file: 138226-12-7.mol

Synonyms:1-(2',6'-difluorophenyl)-1H,3H-thiazolo(3,4-a)benzimidazole;1-DFPTB;NSC 625487;NSC-625487;thiazolobenzimidazole

Chemical Property of Thiazolobenzimidazole

Chemical Property:

• Boiling Point: 444.9°Cat760mmHg
• Flash Point: 222.9°C
• PSA: 43.12000
• Density: 1.47g/cm³
• LogP: 4.10820
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 288.05327583
• Heavy Atom Count: 20
• Complexity: 360

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4F)F

Technology Process of Thiazolobenzimidazole

There total 1 articles about Thiazolobenzimidazole 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: 93.0%

2,6-difluorobenzaldehyde (437-81-0) + mercaptoacetic acid (68-11-1) + 1,2-diamino-benzene (95-54-5) → 1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole (138226-12-7,194161-13-2,194161-14-3)

Guidance literature:

With nanomagnetite linked sulfonic acid; In acetonitrile; at 80 ℃; for 1h; Green chemistry;

DOI:10.1080/10426507.2014.906421

upstream raw materials:

2,6-difluorobenzaldehyde

mercaptoacetic acid

1,2-diamino-benzene

Refernces

• 1、 Yadav, Ashok K.,Kumar, Manoj,Yadav, Tripti,Jain, Renuka. "An ionic liquid mediated one-pot synthesis of substituted thiazolidinones and benzimidazoles". scheme or table. p. 5031 - 5034. Retrieved 2009/12/01.