3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRIC ACID

Base Information

• Chemical Name: 3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRIC ACID
• CAS No.: 338-03-4
• Molecular Formula: C5H7F3O3
• Molecular Weight: 172.104
• Hs Code.: 2918199090
• Mol file: 338-03-4.mol

Synonyms:Butyricacid, 4,4,4-trifluoro-3-hydroxy-3-methyl- (6CI,7CI,8CI);4,4,4-Trifluoro-3-hydroxy-3-methylbutanoic acid;4,4,4-Trifluoro-3-hydroxy-3-methylbutyric acid;3-(Trifluoromethyl)-3-hydroxybutyric acid;

Chemical Property of 3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRIC ACID

Chemical Property:

• Appearance/Colour: white to pale yellow low melting solid
• Vapor Pressure: 0.00229mmHg at 25°C
• Melting Point: 39-41℃
• Refractive Index: 1.3880
• Boiling Point: 256.6 °C at 760 mmHg
• Flash Point: 109 °C
• PSA: 57.53000
• Density: 1.438 g/cm³
• LogP: 0.77440
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

3-(Trifluoromethyl)-3-hydroxybutyricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRIC ACID

There total 2 articles about 3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRIC 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:

1,1,1-trifluoro-2-propanone (421-50-1) + malonic acid (141-82-2) → 4,4,4-trifluoro-3-hydroxy-3-methyl-butanoic acid (338-03-4)

Guidance literature:

With piperidine; pyridine;

DOI:10.1021/ja01618a062

Reference yield:

4-methyl-4-trifluoromethyl-oxetan-2-one (110115-54-3) → 4,4,4-trifluoro-3-hydroxy-3-methyl-butanoic acid (338-03-4)

Guidance literature:

With sulfuric acid;

DOI:10.1007/BF00905938

Reference yield: 72.0%

4,4,4-trifluoro-3-hydroxy-3-methyl-butanoic acid (338-03-4) + (R)-benzyl 2-aminopropanoate hydrochloride (5557-81-3,5557-83-5,34404-37-0) → (2R)-benzyl 2-(4,4,4-trifluoro-3-hydroxy-3-methylbutanamido)propanoate

Guidance literature:

With N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 0 - 20 ℃; for 1h;

upstream raw materials:

1,1,1-trifluoro-2-propanone

malonic acid

4-methyl-4-trifluoromethyl-oxetan-2-one

Downstream raw materials:

3-methyl-4,4,4-trifluoro-2-butenoic acid

4,4,4-Trifluor-3-hydroxy-3-methyl-butansaeure-⁽¹⁾-ethylester

(+/-)-4,4,4-Trifluor-3-methyl-1-butanol

(-)-3-trifluoromethylbutanoic acid