80277-40-3

Basic information

• Product Name: OXO-(4-TRIFLUOROMETHYL-PHENYL)-ACETONITRILE
• Synonyms: OXO-(4-TRIFLUOROMETHYL-PHENYL)-ACETONITRILE;4-(TRIFLUOROMETHYL)BENZOYL CYANIDE;2-(4-(TRIFLUOROMETHYL)PHENYL)-2-OXOACETONITRILE;Benzeneacetonitrile, alpha-oxo-4-(trifluoroMethyl)-;Benzeneacetonitrile, a-oxo-4-(trifluoroMethyl)-;Benzeneacetonitrile, α-oxo-4-(trifluoromethyl)-
• CAS NO: 80277-40-3
• Molecular Formula: C₉H₄F₃NO
• Molecular Weight: 199.13
• Mol File: 80277-40-3.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: OXO-(4-TRIFLUOROMETHYL-PHENYL)-ACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: OXO-(4-TRIFLUOROMETHYL-PHENYL)-ACETONITRILE(80277-40-3)
• EPA Substance Registry System: OXO-(4-TRIFLUOROMETHYL-PHENYL)-ACETONITRILE(80277-40-3)

Safety Data

• Statements: 20/21/22
• Safety Statements: 26-36/37/39
• RIDADR: 3276
• Hazardous Substances Data: 80277-40-3(Hazardous Substances Data)

Usage

General Description

OXO-(4-TRIFLUOROMETHYL-PHENYL)-ACETONITRILE is a chemical compound with the molecular formula C9H5F3NO. It is a nitrile compound that contains a phenyl group with a trifluoromethyl substituent. This chemical is commonly used as a building block in organic synthesis and pharmaceutical research. It has potential applications as a precursor in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. OXO-(4-TRIFLUOROMETHYL-PHENYL)-ACETONITRILE is a highly reactive compound that should be handled with care and in accordance with proper safety precautions.

Upstream product

• 329-15-7 4-trifluoromethyl-phenyl acetyl chloride 
• 168013-75-0 (+/-)-2-hydroxy-2-(4-trifluoromethylphenyl)acetonitrile 
• 455-19-6 4-Trifluoromethylbenzaldehyde 

Relevant articles and documents

Palladium-Catalyzed One-Pot Four-Component Synthesis of β-Cyano-α,β-unsaturated Ketones Using Calcium Carbide as an Acetylene Source and Potassium Hexacyanoferrate(II) as an Eco-Friendly Cyanide Source

Palladium-catalyzed one-pot four-component synthesis of β-cyano-α,β-unsaturated ketones by the reactions of aryl halides, calcium carbide, potassium hexacyanoferrate(II) and aroyl chlorides is described. The salient features of this protocol are the direct use of easy-to-handle acetylene source and eco-friendly cyanide source, wide scope of substrates with good functional group tolerance, and simple work-up procedure. (Figure presented.).

Reactions of Zirconocene-1-Aza-1,3-diene Complexes with Acyl Cyanides: Substrate-Dependent Synthesis of Acyl- or Non-Acyl-Substituted Pyrroles

Insertion of acyl cyanides into azazirconacyclopentenes derived from 1,3-azadienes has been described, which affords acyl- or non-acyl-substituted pyrroles upon acidic quenching. These reactions are initialized through C=O insertion into the azazirconacycle to afford seven-membered oxaazazirconacycles. In the cases of 1,4- or 1,2,4-substituted azadienes, addition of a second molecule of acyl cyanide followed by cyclization upon acidic quenching leads to acyl-substituted pyrroles. In the cases of 1,3,4-substituted azadienes, the addition of a second molecule of acyl cyanide cannot proceed due to the steric hindrance caused by the R3 group on the zirconium intermediate. Acidic quenching of the resulting zirconium intermediate affords non-acyl-substituted pyrroles.