95853-69-3

Basic information

• Product Name: 3-(TrifluoroMethyl)butyraldehyde
• Synonyms: 3-(TrifluoroMethyl)butyraldehyde;3-(Trifluoromethyl)butyraldehyde,50wt.%intoluene;4,4,4-trifluoro-3-methylbutanal;Butanal, 4,4,4-trifluoro-3-methyl-
• CAS NO: 95853-69-3
• Molecular Formula: C₅H₇F₃O
• Molecular Weight: 140.1036896
• Mol File: 95853-69-3.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-(TrifluoroMethyl)butyraldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(TrifluoroMethyl)butyraldehyde(95853-69-3)
• EPA Substance Registry System: 3-(TrifluoroMethyl)butyraldehyde(95853-69-3)

Safety Data

• Hazardous Substances Data: 95853-69-3(Hazardous Substances Data)

Usage

Description

3-(TrifluoroMethyl)butyraldehyde is an organic compound characterized by the presence of a trifluoromethyl group attached to a butyraldehyde moiety. It is a versatile intermediate in organic synthesis, known for its unique reactivity and stability.
Used in Pharmaceutical Industry:
3-(TrifluoroMethyl)butyraldehyde is used as a reactant in the synthesis of nonproteinogenic amino acids for the development of novel pharmaceutical compounds. Its unique trifluoromethyl group imparts specific properties to the synthesized amino acids, which can be exploited for the design of new drugs with improved pharmacological profiles.
Used in Chemical Synthesis:
3-(TrifluoroMethyl)butyraldehyde is used as a key intermediate in the synthesis of various organic compounds, including agrochemicals, fragrances, and specialty chemicals. Its reactivity and stability make it a valuable building block for the creation of complex molecular structures with potential applications in various industries.

Upstream product

• 6975-13-9 (+/-)-ethyl 4,4,4-trifluoro-3-methylbutanoate 
• 691-77-0 (E)-3-trifluoromethyl-2-butenoic acid ethyl ester 
• 339-62-8 (+/-)-4,4,4-Trifluor-3-methyl-1-butanol 

Downstream Products

• 95976-40-2 (2R,4S)-2-<(4S,5S)-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)amino>-5,5,5-trifluor-4-methylvaleronitril 
• 95911-01-6 (2R,4R)-2-<(4S,5S)-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)amino>-5,5,5-trifluor-4-methylvaleronitril 
• 95911-00-5 (2S,4S)-(+)-2-<(4S,5S)-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)amino>-5,5,5-trifluor-4-methylvaleronitril 
• 95853-76-2 (2S,4R)-(+)-2-<(4S,5S)-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)amino>-5,5,5-trifluor-4-methylvaleronitril 

Relevant articles and documents

MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF

The present invention provides compounds, compositions thereof, and methods of using the same.

Nonproteinogenic Amino Acids, II. - Synthesis and Determination of the Absolute Configuration of (2S,4S)-(-)- and (2S,4R)-(+)-5,5,5-Trifluoroleucine

The synthesis (Scheme 1) of racemic 4,4,4-trifluoro-3-methyl-1-butanol (5) and the resolution of its enantiomers is described.The absolute configuration of the negatively rotating enantiomer of 5 is correlated to that of the optically active fermentation amyl alcohol (S-10) via (S)-(-)-1,1,1-trifluoro-2-methylbutane (S-8) (Scheme 2).Oxidation of optically pure (R)-(+)-4,4,4-trifluoro-3-methyl-1-butanol (R-5) yields the aldehyde R-6 which is employed as starting material for the asymmetric Strecker synthesis of (2S,4R)-(+)-5,5,5-trifluoroleucine (13a).The analogous synthesis with (+/-)-4,4,4-trifluoro-3-methyl-1-butanol (6) via the aminonitrile 11 affords the optically pure (2S,4S)-diastereoisomer 11b which leads to enantiomerically pure (2S,4S)-(-)-5,5,5-trifluoroleucine (13b).