[5-(Trifluoromethyl)-1,2-oxazol-3-yl]methanol

Base Information

• Chemical Name: [5-(Trifluoromethyl)-1,2-oxazol-3-yl]methanol
• CAS No.: 172031-94-6
• Molecular Formula: C5H4F3NO2
• Molecular Weight: 167.09
• European Community (EC) Number: 869-817-5
• ChEMBL ID: CHEMBL4566309
• Nikkaji Number: J672.531G
• Mol file: 172031-94-6.mol

Synonyms:172031-94-6;[5-(Trifluoromethyl)-1,2-oxazol-3-yl]methanol;(5-(trifluoromethyl)isoxazol-3-yl)methanol;3-Isoxazolemethanol,5-(trifluoromethyl)-(9CI);SCHEMBL411505;CHEMBL4566309;AKOS023713805;AT33648;(5-trifluoromethyl-isoxazol-3-yl)methanol;(5-Trifluoromethyl-isoxazol-3-yl)-methanol;EN300-191629;F8888-0965

Chemical Property of [5-(Trifluoromethyl)-1,2-oxazol-3-yl]methanol

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 167.01941286
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99%+ ^*data from raw suppliers

[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(ON=C1CO)C(F)(F)F

Technology Process of [5-(Trifluoromethyl)-1,2-oxazol-3-yl]methanol

There total 6 articles about [5-(Trifluoromethyl)-1,2-oxazol-3-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: 81.0%

ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate (625120-13-0) → [5-(trifluoromethyl)isoxazol-3-yl]methanol (172031-94-6)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; at -5 - 0 ℃; for 1h;

DOI:10.1021/acs.joc.9b02264

Reference yield: 80.0%

4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol (172032-07-4) → [5-(trifluoromethyl)isoxazol-3-yl]methanol (172031-94-6)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In ethanol; at 60 ℃; for 10h;

DOI:10.1016/0022-1139(95)03252-9

Reference yield: 70.0%

3-(((tert-butyldimethylsilyl)oxy)methyl)-5-(trifluoromethyl)isoxazole → [5-(trifluoromethyl)isoxazol-3-yl]methanol (172031-94-6)

Guidance literature:

With potassium hydrogen difluoride; In methanol; water;

DOI:10.1021/acs.joc.9b02258

upstream raw materials:

4,4,5,5,5-pentafluoro-2-iodopent-2-en-1-ol

ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate

5,5,5-trifluoro-2,4-dioxopentanoic acid ethyl ester

Downstream raw materials:

5-(trifluoromethyl)isoxazole-3-carboxylic acid

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