5-(Trifluoromethyl)-4,5-dihydroisoxazol-5-ol

Base Information

• Chemical Name: 5-(Trifluoromethyl)-4,5-dihydroisoxazol-5-ol
• CAS No.: 134219-67-3
• Molecular Formula: C4H4F3NO2
• Molecular Weight: 155.076
• DSSTox Substance ID: DTXSID80381748
• Nikkaji Number: J606.902I
• Mol file: 134219-67-3.mol

Synonyms:5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol;134219-67-3;5-(trifluoromethyl)-4H-1,2-oxazol-5-ol;5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-ol;5-hydroxy-5-trifluoromethyl-4,5-dihydro-1,2-oxazole;SCHEMBL8056286;DTXSID80381748;CBDSQULSETVXPZ-UHFFFAOYSA-N;5-Trifluoromethyl-2-isoxazolin-5-ol;MFCD00238829;EN300-1072568;5-hydroxy-5-trifluoromethyl-4,5-dihydroisoxazole;InChI=1/C4H4F3NO2/c5-4(6,7)3(9)1-2-8-10-3/h2,9H,1H

Chemical Property of 5-(Trifluoromethyl)-4,5-dihydroisoxazol-5-ol

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 155.01941286
• Heavy Atom Count: 10
• Complexity: 166

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C=NOC1(C(F)(F)F)O

Technology Process of 5-(Trifluoromethyl)-4,5-dihydroisoxazol-5-ol

There total 5 articles about 5-(Trifluoromethyl)-4,5-dihydroisoxazol-5-ol 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: 43.0%

acetophenone O-vinyloxime (161564-59-6) + trifluoroacetic anhydride (407-25-0) → 5-hydroxy-5-trifluoromethyl-Δ2-isoxazoline (134219-67-3) + (E)-1,1,1-Trifluoro-4-[1-phenyl-eth-(E)-ylideneaminooxy]-but-3-en-2-one

Guidance literature:

With pyridine; In diethyl ether; at 18 - 20 ℃; for 3h;

DOI:10.1023/A:1012363904621

Reference yield:

(E)-4-[1,2-Dimethyl-prop-(E)-ylideneaminooxy]-1,1,1-trifluoro-but-3-en-2-one → 3-methyl-butan-2-one (563-80-4) + 5-hydroxy-5-trifluoromethyl-Δ2-isoxazoline (134219-67-3) + 4,4,4-trifluoro-3-oxobutyraldehyde oxime

Guidance literature:

With atmospheric moisture; at 18 - 20 ℃; for 72h;

DOI:10.1023/A:1012363904621

Reference yield:

1,1,1-trifluoro-4-(1-isopropyl-2-methyl-propylideneaminooxy)-but-3-en-2-one → 5-hydroxy-5-trifluoromethyl-Δ2-isoxazoline (134219-67-3) + 2,4-dimethylpentan-3-one (565-80-0) + 4,4,4-trifluoro-3-oxobutyraldehyde oxime

Guidance literature:

With atmospheric moisture; at 18 - 20 ℃; for 72h;

DOI:10.1023/A:1012363904621

upstream raw materials:

acetophenone O-vinyloxime

trifluoroacetic anhydride

Downstream raw materials:

5-trifluoromethyl-isoxazole

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