86571-26-8

Basic information

• Product Name: 1,1,1-trifluoro-4-phenylbutan-2-one
• Synonyms: 1,1,1-trifluoro-4-phenylbutan-2-one
• CAS NO: 86571-26-8
• Molecular Formula: C₁₀H₉F₃O
• Molecular Weight: 202.17
• Mol File: 86571-26-8.mol
• Article Data: 30

Chemical Properties

• Boiling Point: 208°C at 760 mmHg
• Flash Point: 93.3°C
• Appearance: /
• Density: 1.197g/cm³
• Vapor Pressure: 0.218mmHg at 25°C
• Refractive Index: 1.452
• CAS DataBase Reference: 1,1,1-trifluoro-4-phenylbutan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1-trifluoro-4-phenylbutan-2-one(86571-26-8)
• EPA Substance Registry System: 1,1,1-trifluoro-4-phenylbutan-2-one(86571-26-8)

Safety Data

• Hazardous Substances Data: 86571-26-8(Hazardous Substances Data)

Usage

Chemical structure

A ketone derivative with a trifluoromethyl group (-CF3) and a phenyl group (C6H5) attached to a butan-2-one backbone.

Applications

a. Synthesis of pharmaceuticals and organic compounds
b. Building block for more complex chemical structures
c. Production of fragrances and flavors
d. Research and development in organic chemistry and chemical engineering

Reactivity

Versatile reactivity due to the presence of the trifluoromethyl group and the phenyl group.

Physical state

Likely a liquid or solid at room temperature, depending on the specific conditions.

Appearance

The appearance of 1,1,1-trifluoro-4-phenylbutan-2-one is not provided in the material, but it is likely a colorless to light-colored liquid or solid.

Solubility

The solubility of 1,1,1-trifluoro-4-phenylbutan-2-one is not provided in the material, but it may be soluble in organic solvents such as ethanol, acetone, or dichloromethane, and possibly slightly soluble in water.

Stability

The stability of 1,1,1-trifluoro-4-phenylbutan-2-one is not provided in the material, but it is generally stable under normal laboratory conditions.

Safety

The safety information for 1,1,1-trifluoro-4-phenylbutan-2-one is not provided in the material, but it is important to follow proper safety precautions when handling any chemical compound, such as wearing gloves, goggles, and a lab coat, and working in a well-ventilated area or fume hood.

InChI:InChI=1/C10H9F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

Upstream product

• 2378-04-3 S-phenyl thiotrifluoroacetate 
• 39110-26-4 (triphenylphosphonio)-3-phenyl-1-propanide 
• 3277-89-2 phenethylmagnesium bromide 
• 383-63-1 ethyl trifluoroacetate, 
• 104863-67-4 N-methoxy-N-methyltrifluoroacetamide 
• 103-63-9 1-phenyl-2-bromoethane 
• 862457-93-0 1-bromo-1,1-difluoro-4-phenylbutan-2-one 
• 104-53-0 3-phenyl-propionaldehyde 
• 1083-30-3 dihydrochalcone 
• 170646-96-5 N-methoxy-N-methyl-3-phenylpropionamide 
• 645-45-4 hydrocinnamic acid chloride 
• 101396-02-5 1-(β-phenylethyl)-2,2,2,-trifluoroethanol 
• 400-38-4 isopropyl Trifluoroacetate 
• 118642-63-0 N,N-dimethyl hydrazono-3 trifluoro-4,4,4 benzyl-2 butanoate d'ethyle 

Downstream Products

• 121692-28-2 1-Phenyl-1-trifluoromethyl-indan 
• 1003322-16-4 1,1-dibromo-4-phenyl-2-trifluoromethylbut-1-ene 
• 119-84-6 C₆H₄(CH₂CH₂C(O)O) 
• 495-78-3 3-(2-hydroxyphenyl)propionic acid 
• 821799-86-4 N-benzyl-2-ethyl-4-phenyl-2-(trifluoromethyl)butylamine 
• 821799-28-4 (2R,3E)-6-phenyl-4-(trifluoromethyl)-3-hexen-2-yl acetate 
• 821799-29-5 (E)-4-ethyl-6-phenyl-4-(trifluoromethyl)-2-hexene 
• 821799-87-5 2-ethyl-4-phenyl-2-(trifluoromethyl)butylamine 
• 821799-27-3 (2R,3E)-6-phenyl-4-(trifluoromethyl)-3-hexen-2-ol 
• 821799-31-9 2-ethyl-4-phenyl-2-(trifluoromethyl)butanal 

Relevant articles and documents

Remote Regioselective Radical C-H Functionalization of Unactivated C-H Bonds in Amides: The Synthesis of gem-Difluoroalkenes

The site-selective functionalization of unactivated aliphatic amines is an attractive and challenging synthetic approach. We herein report a general strategy for the remote site-selective functionalization of unactivated C(sp3)-H bonds in amides by photogenerated amidyl radicals to form gem-difluoroalkenes with trifluoromethyl-substituted alkenes. The site selectivity is controlled by a 1,5-hydrogen atom transfer (HAT) process of the amide. This photocatalyzed transformation shows both chemo- and site-selectivity, facilitating the formation of a secondary, tertiary, or quaternary carbon center.

Highly enantioselective construction of CF3-bearing all-carbon quaternary stereocenters: Hiral spiro-fused bisoxazoline ligands with 1,1′-binaphthyl sidearm for asymmetric Michael-type Friedel-Crafts reaction

A novel class of chiral spiro-fused bisoxazoline ligands possessing a deep chiral pocket was prepared. The developed ligands have been employed in the nickel-catalyzed highly enantioselective Michael-type Friedel-Crafts reaction, affording the products bearing a trifluoromethylated all-carbon quaternary stereocenter with moderate to excellent yields (up to 99%) and good to excellent enantioselectivies (up to > 99.9% ee). Moreover, a proposed model of chiral pocket revealed that the attack of indole from the Re-face of β-CF3-β-disubstituted nitroalkene was favorable.

Synthesis of trifluoromethyl moieties by late-stage copper (I) mediated nucleophilic fluorination

The nucleophilic fluorination of bromodifluoromethyl derivatives mediated by the complex (PPh3)3CuF is described. Under the reaction conditions, different trifluoroacetates, trifluoroketones, trifluoroarenes and trifluoroacetamides were obtained in good yields.