117896-99-8

Basic information

• Product Name: 1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one
• Synonyms: 1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one
• CAS NO: 117896-99-8
• Molecular Formula: C₁₀H₉F₃O₂
• Molecular Weight: 218.17
• Mol File: 117896-99-8.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 272.5°Cat760mmHg
• Flash Point: 118.6°C
• Appearance: /
• Density: 1.304g/cm³
• Vapor Pressure: 0.00364mmHg at 25°C
• Refractive Index: 1.479
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 9.85±0.15(Predicted)
• CAS DataBase Reference: 1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one(117896-99-8)
• EPA Substance Registry System: 1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one(117896-99-8)

Safety Data

• Hazardous Substances Data: 117896-99-8(Hazardous Substances Data)

Usage

General Description

1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one is a chemical compound with the molecular formula C10H9F3O2. It is a ketone derivative that contains a trifluoromethyl group and a hydroxyphenyl group attached to a butanone backbone. 1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one is commonly used in organic synthesis and pharmaceutical research as a building block in the production of various pharmaceuticals and fine chemicals. It has potential applications in the development of drugs for the treatment of various diseases and is also used as a reagent in chemical reactions for the formation of new carbon-carbon and carbon-heteroatom bonds. Overall, 1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one has important uses in the pharmaceutical and chemical industries, making it a valuable compound for scientific research and development.

InChI:InChI=1/C10H9F3O2/c11-10(12,13)9(15)6-3-7-1-4-8(14)5-2-7/h1-2,4-5,14H,3,6H2

Upstream product

• 121749-58-4 4,4,4-trifluoro-2-(4-methoxy-benzyl)-3-oxo-butyric acid ethyl ester 
• 63867-00-5 3-(4'-acetoxyphenyl)propionyl chloride 
• 501-97-3 4-hydroxyphenylpropionic acid 
• 7249-16-3 3-(4-acetoxyphenyl)-propionic acid 
• 288310-69-0 acetic acid 4-(4,4,4-trifluoro-3-oxo-butyl)-phenyl ester 
• 66628-99-7 3-(4-hydroxyphenyl)propanoyl chloride 
• 407-25-0 trifluoroacetic anhydride 
• 22767-72-2 ethyl 3-(4-methoxyphenyl)propanoate 
• 1929-29-9 3-(4-methoxyphenyl)propanoic acid 
• 221915-87-3 1,1,1-trifluoro-4-(4-methoxy-phenyl)-butan-2-one 

Downstream Products

• 221915-88-4 4-(3,3-dimethoxy-4,4,4-trifluorobut-1-yl)phenol 

Relevant articles and documents

A Dual-Modal Molecular Probe for Near-Infrared Fluorescence and Photoacoustic Imaging of Peroxynitrite

Peroxynitrite (ONOO-), a reactive and short-lived biological oxidant, is closely related with many pathological conditions such as cancer. However, real-time in vivo imaging of ONOO- in tumors remains to be challenging. Herein, we de

Trifluoromethyl ketone analogs as selective cPLA2 inhibitors

Selective inhibitors of the cPLA2enzymes are provided which are of use in controlling a wide variety of inflammatory diseases. The inhibitors of the present invention have the general formula where (R′), p, D, Y, Z, Ra, Rband A are as defined in the specification.

Regioselective intramolecular oxidation of phenols and anisoles by dioxiranes generated in situ

A novel method for regioselective oxidation of phenols and anisoles has been developed in which dioxiranes, generated in situ from ketones and Ozone, oxidize phenol derivatives in an intramolecular fashion. A series of ketones with electron-withdrawing groups, such as CF3, COOMe, and CH2Cl, were attached to phenols, anisoles, or aryl rings via a C2 or C3 methylene linker. In a homogeneous solvent system of CH3CN and H2O, oxidation of phenol derivatives 1-10 afforded spiro 2-hydroxydienones in 24-55% yields regardless of the presence of other substituents (ortho Me, meta Me or Br) on the aryl ring and the length of the linker. Experimental evidences were provided to support the mechanism that involves a regioselective π bond epoxidation of aryl rings followed by epoxide rearrangement and hemiketal formation.