2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-phenyl-1,3-thiazole

Base Information

• Chemical Name: 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-phenyl-1,3-thiazole
• CAS No.: 141177-76-6
• Molecular Formula: C14H10F3N3S
• Molecular Weight: 309.31000
• DSSTox Substance ID: DTXSID90394349
• Nikkaji Number: J1.773.544F
• Wikidata: Q82193676
• Mol file: 141177-76-6.mol

Synonyms:141177-76-6;2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-phenyl-1,3-thiazole;2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole;Thiazole, 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-phenyl-;1T-0851;DTXSID90394349;AKOS005083976;3-Methyl-1-(4-phenyl-2-thiazolyl)-5-(trifluoromethyl)-1H-pyrazole

Chemical Property of 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-phenyl-1,3-thiazole

Chemical Property:

• Boiling Point: 436.8±55.0 °C(Predicted)
• PSA: 58.95000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 4.32300
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 309.05475299
• Heavy Atom Count: 21
• Complexity: 360

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C3=CC=CC=C3

Technology Process of 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-phenyl-1,3-thiazole

There total 3 articles about 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-phenyl-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: 75.0%

5-methyl-2-(4-phenyl-thiazol-2-yl)-3-trifluoromethyl-3,4-dihydro-2H-pyrazol-3-ol → 2-(3-Methyl-5-trifluoromethyl-pyrazol-1-yl)-4-phenyl-thiazole (141177-76-6)

Guidance literature:

With sulfuric acid; In acetic acid; for 5h; Heating;

DOI:10.1055/s-2002-31955

Reference yield:

α-bromoacetophenone (70-11-1) → 2-(3-Methyl-5-trifluoromethyl-pyrazol-1-yl)-4-phenyl-thiazole (141177-76-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / CHCl₃ / 24 h / 20 - 25 °C

2: 75 percent / H₂SO₄ / acetic acid / 5 h / Heating

With sulfuric acid; In chloroform; acetic acid;

DOI:10.1055/s-2002-31955

Reference yield:

5-hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydro-1H-pyrazolethiocarboxy amide (35179-63-6) → 2-(3-Methyl-5-trifluoromethyl-pyrazol-1-yl)-4-phenyl-thiazole (141177-76-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / CHCl₃ / 24 h / 20 - 25 °C

2: 75 percent / H₂SO₄ / acetic acid / 5 h / Heating

With sulfuric acid; In chloroform; acetic acid;

DOI:10.1055/s-2002-31955

upstream raw materials:

α-bromoacetophenone

5-hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydro-1H-pyrazolethiocarboxy amide

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