[2-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanol

Base Information

• Chemical Name: [2-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanol
• CAS No.: 857284-25-4
• Molecular Formula: C11H8 F3 N O S
• Molecular Weight: 259.252
• DSSTox Substance ID: DTXSID80428223
• Wikidata: Q82241024
• Mol file: 857284-25-4.mol

Synonyms:857284-25-4;[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanol;{2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methanol;4-Thiazolemethanol,2-[4-(trifluoromethyl)phenyl]-;SCHEMBL12151145;DTXSID80428223;MFCD07772872;MS-22343;(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)methanol

Chemical Property of [2-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanol

Chemical Property:

• Vapor Pressure: 6.35E-06mmHg at 25°C
• Melting Point: 107 °C
• Refractive Index: 1.548
• Boiling Point: 363.6°C at 760 mmHg
• Flash Point: 173.7°C
• PSA: 61.36000
• Density: 1.403g/cm³
• LogP: 3.32120
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 259.02786954
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

(2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-4-YL)METHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC(=CS2)CO)C(F)(F)F

Technology Process of [2-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanol

There total 5 articles about [2-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanol 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: 51.0%

→ {2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methanol (857284-25-4)

Guidance literature:

Reference yield:

methyl 2-(4-trifluoromethylphenyl)thiazole-4-carboxylate (1315510-13-4) → {2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methanol (857284-25-4)

Guidance literature:

With lithium borohydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

Reference yield:

4-trifluoromethylphenylboronic acid (128796-39-4) → {2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methanol (857284-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 100 °C / Inert atmosphere

2: sodium tetrahydroborate; methanol / 1 h / 20 °C

With methanol; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium tetrahydroborate; potassium carbonate; In 1,4-dioxane; water;

DOI:10.1021/acs.orglett.9b00563

upstream raw materials:

4-trifluoromethylphenylboronic acid

4-trifluoromethylbenzthioamide

methyl 2-(4-trifluoromethylphenyl)thiazole-4-carboxylate

2-[4-(trifluoromethyl)phenyl]thiazole-4-carboxylic acid ethyl ester

Downstream raw materials:

2-(4-(trifluoromethyl)phenyl)thiazole

4-bromomethyl-2-(4-trifluoromethyl-phenyl)-thiazole