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OXO-(4-TRIFLUOROMETHYL-PHENYL)-ACETONITRILE, with the molecular formula C9H5F3NO, is a nitrile compound characterized by the presence of a phenyl group substituted with a trifluoromethyl group. It is a versatile building block in the realm of organic synthesis and pharmaceutical research, known for its high reactivity, which necessitates careful handling and adherence to safety protocols.

80277-40-3

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80277-40-3 Usage

Uses

Used in Pharmaceutical Research:
OXO-(4-TRIFLUOROMETHYL-PHENYL)-ACETONITRILE is utilized as a key intermediate in the synthesis of various pharmaceuticals, contributing to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Production:
OXO-(4-TRIFLUOROMETHYL-PHENYL)-ACETONITRILE serves as a precursor in the creation of agrochemicals, playing a crucial role in the formulation of products designed to enhance crop protection and yield.
Used in Specialty Chemicals Industry:
OXO-(4-TRIFLUOROMETHYL-PHENYL)-ACETONITRILE is employed as a building block for specialty chemicals, which are often used in specific applications due to their unique properties, such as in the production of high-performance materials or fine chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 80277-40-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,2,7 and 7 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 80277-40:
(7*8)+(6*0)+(5*2)+(4*7)+(3*7)+(2*4)+(1*0)=123
123 % 10 = 3
So 80277-40-3 is a valid CAS Registry Number.

80277-40-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(trifluoromethyl)benzoyl cyanide

1.2 Other means of identification

Product number -
Other names Oxo-(4-trifluoromethyl-phenyl)-acetonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:80277-40-3 SDS

80277-40-3Downstream Products

80277-40-3Relevant academic research and scientific papers

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

Lu, Hao,Li, Zheng

supporting information, p. 4474 - 4482 (2019/08/20)

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.).

Acceptorless and Base-free Dehydrogenation of Cyanohydrin with (η6-Arene)halide(Bidentate Phosphine)ruthenium(II) Complex

Kim, Kicheol,Moeljadi, Adhitya Mangala Putra,Hirao, Hajime,Hong, Soon Hyeok

, p. 3292 - 3298 (2017/09/06)

Ruthenium-catalyzed dehydrogenation of cyanohydrins under acceptorless and base-free conditions was demonstrated for the first time in the synthesis of acyl cyanide. As opposed to the thermodynamically preferred elimination of hydrogen cyanide, the dehydrogenation of cyanohydrins could be kinetically controlled with ruthenium (II) bidentate phosphine complexes. The effects of the arene, phosphine ligands and counter anions were investigated in regard to catalytic activity and selectivity. Selective dehydrogenation can occur via β-hydride elimination with the experimentally observed [(alkoxide)Ru] complex. (Figure presented.).

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

Xiong, Meijun,Yu, Shasha,Xie, Xin,Li, Shi,Liu, Yuanhong

supporting information, p. 5597 - 5601 (2015/12/23)

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.

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