2-((2-Chlorophenyl)methylene)thiazolo(3,2-a)benzimidazol-3(2H)-one

Base Information

• Chemical Name: 2-((2-Chlorophenyl)methylene)thiazolo(3,2-a)benzimidazol-3(2H)-one
• CAS No.: 23983-05-3
• Molecular Formula: C16H9 Cl N2 O S
• Molecular Weight: 312.7735
• ChEMBL ID: CHEMBL2391009
• Mol file: 23983-05-3.mol

Synonyms:WT-TTR inhibitor 1;155099-33-5;2-(2-Chlorobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one;2-[(2-chlorophenyl)methylene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one;23983-05-3;BRN 0621068;CHEMBL2391009;2-((2-Chlorophenyl)methylene)thiazolo(3,2-a)benzimidazol-3(2H)-one;AKOS000322164;Thiazolo(3,2-a)benzimidazol-3(2H)-one, 2-((2-chlorophenyl)methylene)-;CCG-237741;HY-153577;CS-0784231;Z44307718

Chemical Property of 2-((2-Chlorophenyl)methylene)thiazolo(3,2-a)benzimidazol-3(2H)-one

Chemical Property:

• Vapor Pressure: 4.15E-11mmHg at 25°C
• Boiling Point: 524.8°Cat760mmHg
• Flash Point: 271.2°C
• Density: 1.47g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 312.0124118
• Heavy Atom Count: 21
• Complexity: 469

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)Cl
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2)Cl

Technology Process of 2-((2-Chlorophenyl)methylene)thiazolo(3,2-a)benzimidazol-3(2H)-one

There total 5 articles about 2-((2-Chlorophenyl)methylene)thiazolo(3,2-a)benzimidazol-3(2H)-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: 70.0%

2-chloro-benzaldehyde (89-98-5) + chloroacetic acid (79-11-8) + Benzimidazol-2-thiol (134469-07-1) → 2-(2-chlorobenzylidene)thiazolo<3,2-a>benzimidazol-3(2H)-one (23983-05-3)

Guidance literature:

With sodium acetate; acetic anhydride; acetic acid; Heating;

Reference yield: 65.0%

thiazolo[3,2-a]benzimidazol-3(2H)-one (3042-01-1) + 2-chloro-benzaldehyde (89-98-5) → 2-(2-chlorobenzylidene)thiazolo<3,2-a>benzimidazol-3(2H)-one (23983-05-3)

Guidance literature:

With sodium acetate; In ethanol; for 8h; Heating;

Reference yield:

2-(1H-benzimidazol-2-ylthio)acetic acid (3042-00-0) → 2-(2-chlorobenzylidene)thiazolo<3,2-a>benzimidazol-3(2H)-one (23983-05-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / Ac₂O, Py

2: 65 percent / NaOAc / ethanol / 8 h / Heating

With pyridine; sodium acetate; acetic anhydride; In ethanol;

upstream raw materials:

thiazolo[3,2-a]benzimidazol-3(2H)-one

2-chloro-benzaldehyde

chloroacetic acid

Benzimidazol-2-thiol

Downstream raw materials:

2-(2-chloro-benzhydryl)-benzo[4,5]imidazo[2,1-b]thiazol-3-one

2-[1-(2-chloro-phenyl)-ethylidene]-benzo[4,5]imidazo[2,1-b]thiazol-3-one

Refernces

• 1、 Soni, Namita,Barthwal, J. P.,Gupta, T. K.,Bhalla, T. N.,Parmar, S. S.,Bhargava, K. P.. "Synthesis of New 2-Substituted Benzylidenethiazolobenzimidazol-3(2H)-ones and Their Biological Activity". . p. 785 - 788. Retrieved 2007/10/02.