4-(Trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-one

Base Information

• Chemical Name: 4-(Trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-one
• CAS No.: 1153291-65-6
• Molecular Formula: C₄H₂F₃NOS
• Molecular Weight: 169.127
• European Community (EC) Number: 811-764-7
• Mol file: 1153291-65-6.mol

Synonyms:1153291-65-6;2(3H)-Thiazolone, 4-(trifluoromethyl)-;4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-one;4-(trifluoromethyl)thiazol-2(3H)-one;4-(trifluoromethyl)-3H-1,3-thiazol-2-one;4-(trifluoromethyl)-2(3H)-Thiazolone;C4H2F3NOS;SCHEMBL2129416;SCHEMBL23642449;NUTIRAIHGFECTL-UHFFFAOYSA-N;2-Hydroxy-4-trifluoromethylthiazole;MFCD12131297;AKOS009569586;AT15103;DB-060721;EN300-84321;A18100

Chemical Property of 4-(Trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-one

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 168.98091935
• Heavy Atom Count: 10
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

4-(Trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(NC(=O)S1)C(F)(F)F

Technology Process of 4-(Trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-one

There total 2 articles about 4-(Trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-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: 42.0%

3-bromo-1,1,1-trifluoroacetone (431-35-6) + potassium thioacyanate (333-20-0) → 4-trifluoromethyl-3H-thiazol-2-one (1153291-65-6)

Guidance literature:

3-bromo-1,1,1-trifluoroacetone; potassium thioacyanate; In acetone; at 20 ℃; for 0.5h;

With sulfuric acid; acetic acid; In water; for 3h; Reflux;

DOI:10.1002/anie.201801270

Reference yield:

→ 4-trifluoromethyl-3H-thiazol-2-one (1153291-65-6)

Guidance literature:

With sulfuric acid; In acetic acid; for 1h; Reflux;

Reference yield:

1-(2-bromomethylphenyl)-4-methyl-1, 4-dihydrotetrazole-5-one (195261-65-5) + 4-trifluoromethyl-3H-thiazol-2-one (1153291-65-6) → 2-{[1-(4,5-dihydro-4-methyl-5-oxo-1H-tetrazole-1-yl)phenyl-2-yl]methyloxy}-4-trifluoromethylthiazole

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 2h;

upstream raw materials:

3-bromo-1,1,1-trifluoroacetone

potassium thioacyanate

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