5-Chlorothiabendazole

Base Information

• Chemical Name: 5-Chlorothiabendazole
• CAS No.: 142383-75-3
• Molecular Formula: C₁₀H₆ClN₃S
• Molecular Weight: 235.697
• UNII: 4S25553RBI
• ChEMBL ID: CHEMBL370581
• DSSTox Substance ID: DTXSID30469267
• Wikidata: Q27895968
• Mol file: 142383-75-3.mol

Synonyms:5-Chlorothiabendazole;142383-75-3;1H-Benzimidazole, 5-chloro-2-(4-thiazolyl)-;CHEMBL370581;4-(5-chloro-1H-benzo[d]imidazol-2-yl)thiazole;4S25553RBI;4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazole;1H-Benzimidazole, 6-chloro-2-(4-thiazolyl)-;UNII-4S25553RBI;SCHEMBL20671433;DTXSID30469267;BDBM50180752;AKOS014052615;5-chloro-2-thiazol-4-yl-1H-benzimidazole;5-Chloro-2-thiazol-4-yl-1H-benzoimidazole;Q27895968

Chemical Property of 5-Chlorothiabendazole

Chemical Property:

• PSA: 69.81000
• LogP: 3.33980
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 234.9970961
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

EV001177:5-Chloro-2-thiazol-4-yl-1H-benzoimidazole 97 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)NC(=N2)C3=CSC=N3

Technology Process of 5-Chlorothiabendazole

There total 4 articles about 5-Chlorothiabendazole 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: 56.0%

Thiazole-4-carboxylic acid (3973-08-8) + 4-Chloro-1,2-phenylenediamine (95-83-0) → 5-chloro-2-(thiazol-4-yl)-1H-benzoimidazole (142383-75-3)

Guidance literature:

With PPA; at 180 ℃; for 2h;

DOI:10.1021/jm050476z

Reference yield:

C10H8ClN3S*ClH → 5-chloro-2-(thiazol-4-yl)-1H-benzoimidazole (142383-75-3)

Guidance literature:

C₁₀H₈ClN₃S*ClH; With sodium carbonate; In methanol; water; at 0 - 5 ℃; for 0.333333h;

With sodium hypochlorite; In methanol; water; at 5 - 65 ℃; for 2h;

DOI:10.1016/j.tetlet.2017.07.086

Reference yield:

1,3-thiazole-4-carbaldehyde (3364-80-5) + 4-Chloro-1,2-phenylenediamine (95-83-0) → 5-chloro-2-(thiazol-4-yl)-1H-benzoimidazole (142383-75-3)

Guidance literature:

With sodium metabisulfite; In N,N-dimethyl-formamide; at 120 ℃;

DOI:10.3390/molecules22020213

upstream raw materials:

Thiazole-4-carboxylic acid

4-Chloro-1,2-phenylenediamine

1,3-thiazole-4-carbaldehyde

3-chloro-aniline