3-Trifluoromethylbutyric acid

Base Information

• Chemical Name: 3-Trifluoromethylbutyric acid
• CAS No.: 348-75-4
• Molecular Formula: C₅H₇F₃O₂
• Molecular Weight: 156.105
• Hs Code.: 2915900090
• Mol file: 348-75-4.mol

Synonyms:Butyricacid, 4,4,4-trifluoro-3-methyl- (7CI,8CI);3-(Trifluoromethyl)butyric acid;3-Methyl-4,4,4-trifluorobutyric acid;3-Trifluoromethylbutanoic acid;4,4,4-Trifluoro-3-methylbutanoic acid;4,4,4-Trifluoro-3-methylbutyric acid;

Chemical Property of 3-Trifluoromethylbutyric acid

Chemical Property:

• Appearance/Colour: Clear to pale yellow liquid.
• Refractive Index: 1.359
• Boiling Point: 161.7 °C at 760 mmHg
• PKA: 4.08±0.10(Predicted)
• Flash Point: 51.6 °C
• PSA: 37.30000
• Density: 1.274 g/cm³
• LogP: 1.65950

Purity/Quality:

98%min ^*data from raw suppliers

3-TrifluoromethylbutyricAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Trifluoromethylbutyric acid

There total 8 articles about 3-Trifluoromethylbutyric 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: 85.0%

3-trifluoromethyl-2-butenoic acid (93404-33-2) → (-)-3-trifluoromethylbutanoic acid (348-75-4,162878-31-1)

Guidance literature:

In methanol;

Reference yield:

(2E)-4,4,4-Trifluoro-3-methylbut-2-enoic acid (400-28-2,93404-33-2) → (-)-3-trifluoromethylbutanoic acid (348-75-4,162878-31-1)

Guidance literature:

With morpholine; bis(1,5-cyclooctadiene)rhodium(I) hexafluorophosphate; C₂₄H₂₁O₃P; triphenylphosphine; In chloroform; water; at 20 ℃; for 16h; under 15201 Torr; enantioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201307903

Reference yield:

3-methyl-4,4,4-trifluoro-2-butenoic acid (69056-67-3,93404-33-2) → (-)-3-trifluoromethylbutanoic acid (348-75-4,162878-31-1)

Guidance literature:

With palladium on activated charcoal; Hydrogenation;

DOI:10.1021/ja01618a062

upstream raw materials:

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

3-trifluoromethyl-2-butenoic acid

2,3-bis(trifluoromethyl)butanoic acid

4,4,4-trifluoro-3-hydroxy-3-methyl-butanoic acid

Downstream raw materials:

(S)-4-benzyl-3-((S)-4,4,4-trifluoro-3-methylbutanoyl)oxazolidin-2-one

2-amino-4,4,4-trifluoro-3-methylbutanoic acid

1-[4-[4-[4,5-dihydro-5-(2-fluorophenyl)-3-isoxazolyl]-2-thiazolyl]-1-piperidinyl]-4,4,4-trifluoro-3-methyl-1-butanone

4,4,4-trifluoro-3-methyl-1-(6-phenethyl-7-(trifluoromethyl)-3,4-dihydro-[1,4]diazepino[6,7,1-hi]indol-2(1H)-yl)butan-1-one

Refernces

• 1、 Choi, Geunho,Lee, Geun Seok,Park, Beomsoon,Kim, Dongwook,Hong, Soon Hyeok. "Direct C(sp3)?H Trifluoromethylation of Unactivated Alkanes Enabled by Multifunctional Trifluoromethyl Copper Complexes". supporting information. p. 5467 - 5474. Retrieved 2021/01/20.
• 2、 -. "Process for producing optically active carboxylic acid". . . Retrieved 2008/06/13.