5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydroisoxazole-3-carboxylic acid

Base Information

• Chemical Name: 5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydroisoxazole-3-carboxylic acid
• CAS No.: 444342-51-2
• Molecular Formula: C₇H₅F₆NO₄
• Molecular Weight: 281.111
• Mol file: 444342-51-2.mol

Synonyms:5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazole-3-carboxylic acid

Chemical Property of 5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydroisoxazole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.04E-05mmHg at 25°C

Purity/Quality:

5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydroisoxazole-3-carboxylicacid 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydroisoxazole-3-carboxylic acid

There total 2 articles about 5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydroisoxazole-3-carboxylic acid 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: 98.0%

ethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazole-3-carboxylate (444342-57-8) → 5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazole-3-carboxylic acid (444342-51-2)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1021/jm0605029

Reference yield:

1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol (19701-19-0) → 5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazole-3-carboxylic acid (444342-51-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 3.06 g / Et₃N / tetrahydrofuran / 68 h / 20 °C

2: 98 percent / aq. NaOH / tetrahydrofuran / 1 h / 20 °C

With sodium hydroxide; triethylamine; In tetrahydrofuran;

DOI:10.1021/jm0605029

Reference yield: 3.0%

5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazole-3-carboxylic acid (444342-51-2) + (1R)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-1-(4-fluorophenyl)-2-phenylethan-1-amine (939398-43-3) → N-((R)-1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydroisoxazole-3-carboxamide

Guidance literature:

With 4-methyl-morpholine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

upstream raw materials:

ethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazole-3-carboxylate

1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol

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