4-Methyl-2-[(trichloromethyl)sulfanyl]-1,3-thiazole

Base Information

• Chemical Name: 4-Methyl-2-[(trichloromethyl)sulfanyl]-1,3-thiazole
• CAS No.: 89861-55-2
• Molecular Formula: C5H4Cl3NS2
• Molecular Weight: 248.584
• DSSTox Substance ID: DTXSID30529138
• Nikkaji Number: J3.329.758K
• Wikidata: Q82399326

Synonyms:89861-55-2;4-Methyl-2-[(trichloromethyl)sulfanyl]-1,3-thiazole;DTXSID30529138

Chemical Property of 4-Methyl-2-[(trichloromethyl)sulfanyl]-1,3-thiazole

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 246.885075
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=N1)SC(Cl)(Cl)Cl

Technology Process of 4-Methyl-2-[(trichloromethyl)sulfanyl]-1,3-thiazole

There total 6 articles about 4-Methyl-2-[(trichloromethyl)sulfanyl]-1,3-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: 93.0%

4-methyl-3-[(1-oxohexadecyl)oxy]-2(3H)-thiazolethione (89861-47-2) → pentadecyl bromide (629-72-1) + 4-methyl-2-(trichloromethylsulfanyl)-thiazole (89861-55-2) + pentadecyl thiazolyl sulphide (89861-51-8)

Guidance literature:

With Bromotrichloromethane; In benzene; at 80 ℃; for 1h;

DOI:10.1016/S0040-4039(00)94229-1

Reference yield: 92.0%

Bromotrichloromethane (75-62-7) + 4-methyl-3-[(1-oxohexadecyl)oxy]-2(3H)-thiazolethione (89861-47-2) → pentadecyl bromide (629-72-1) + 4-methyl-2-(trichloromethylsulfanyl)-thiazole (89861-55-2) + pentadecyl thiazolyl sulphide (89861-51-8)

Guidance literature:

In benzene; at 80 ℃; for 1h;

DOI:10.1016/S0040-4039(00)94229-1

Reference yield: 82.0%

tetrachloromethane (56-23-5) + 4-methyl-3-[(1-oxohexadecyl)oxy]-2(3H)-thiazolethione (89861-47-2) → 1-chloropentadecane (4862-03-7) + 4-methyl-2-(trichloromethylsulfanyl)-thiazole (89861-55-2) + pentadecyl thiazolyl sulphide (89861-51-8)

Guidance literature:

for 2h; Heating;

upstream raw materials:

tetrachloromethane

4-methyl-3-[(1-oxohexadecyl)oxy]-2(3H)-thiazolethione

Bromotrichloromethane

(2R,3S)-N-(3-benzoyloxy-5-hexen-2-oxy)-4-methylthiazol-2(3H)-thione

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