4-Chloro-2-methylbenzo[d]thiazole

Base Information

• Chemical Name: 4-Chloro-2-methylbenzo[d]thiazole
• CAS No.: 4146-23-0
• Molecular Formula: C8H6 Cl N S
• Molecular Weight: 183.661
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID20396114
• Wikidata: Q82196643
• Mol file: 4146-23-0.mol

Synonyms:4-Chloro-2-methylbenzo[d]thiazole;4146-23-0;4-chloro-2-methyl-1,3-benzothiazole;4-CHLORO-2-METHYLBENZOTHIAZOLE;Benzothiazole, 4-chloro-2-methyl-;SCHEMBL2615997;DTXSID20396114;AKOS006273745;MB01603;CS-0282422;F83508;EN300-1613365

Chemical Property of 4-Chloro-2-methylbenzo[d]thiazole

Chemical Property:

• PSA: 41.13000
• LogP: 3.25810
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 182.9909481
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98% ^*data from raw suppliers

4-Chloro-2-methylbenzo[d]thiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(S1)C=CC=C2Cl

Technology Process of 4-Chloro-2-methylbenzo[d]thiazole

There total 6 articles about 4-Chloro-2-methylbenzo[d]thiazole 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: 96.0%

2-bromo-4-chlorobenzo[d]thiazole (3622-40-0) + dihydroxy-methyl-borane (13061-96-6) → 4-chloro-2-methylbenzo[d]thiazole (4146-23-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; toluene; at 80 ℃; for 18h; Inert atmosphere; Schlenk technique;

Reference yield: 38.0%

4,6-Dibromo-2-chlorothioacetanilide (113570-95-9) → 4-chloro-2-methylbenzo[d]thiazole (4146-23-0)

Guidance literature:

In methanol; for 16h; Irradiation;

Reference yield:

4,6-Dibromo-2-chloroacetanilide (88142-15-8) → 4-chloro-2-methylbenzo[d]thiazole (4146-23-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / P₂S₅ / benzene / Heating

2: 38 percent / methanol / 16 h / Irradiation

With tetraphosphorus decasulfide; In methanol; benzene;

upstream raw materials:

thioacetic acid-(2-chloro-anilide)

4,6-Dibromo-2-chlorothioacetanilide

4,6-Dibromo-2-chloroacetanilide

N-(2-chlorophenyl)acetamide

Downstream raw materials:

2-Methyl-4-chlor-7-aminobenzothiazol

4,7-dichloro-2-methyl-benzothiazole

2-Methyl-4,7-dichlor-6-aminobenzthiazol