2008-04-0

Basic information

• Product Name: 2-Trifluoromethylbenzoxazole
• Synonyms: 2-(TRIFLUOROMETHYL)BENZO[D]OXAZOLE;2-Trifluoromethylbenzoxazole
• CAS NO: 2008-04-0
• Molecular Formula: C8H4F3NO
• Molecular Weight: 187.12
• Mol File: 2008-04-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 148 °C
• Flash Point: 43 °C
• Appearance: /
• Density: 1.406
• Vapor Pressure: 5.55mmHg at 25°C
• Refractive Index: 1.4579
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -0.05±0.10(Predicted)
• CAS DataBase Reference: 2-Trifluoromethylbenzoxazole(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Trifluoromethylbenzoxazole(2008-04-0)
• EPA Substance Registry System: 2-Trifluoromethylbenzoxazole(2008-04-0)

Safety Data

• Hazardous Substances Data: 2008-04-0(Hazardous Substances Data)

Usage

General Description

2-Trifluoromethylbenzoxazole is a type of chemical compound commonly used in the field of organic chemistry. It contains a trifluoromethyl group, which is a type of alkyl group that contains three fluorine atoms, attached to a benzoxazole structure. Benzoxazoles are heterocyclic aromatic organic compounds containing a benzene ring fused to an oxazole ring. The specific characteristics of 2-Trifluoromethylbenzoxazole – including its physical and chemical properties as well as its reactions and uses – are largely dependent on the presence of these functional groups. It is important to handle and treat it with the right precautions due to its reactive nature.

InChI:InChI=1/C8H4F3NO/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H

Upstream product

• 68005-30-1 2-bromo-1,3-benzoxazole 
• 102675-92-3 2-iodo-1,3-benzoxazole 
• 147531-11-1 trifluoromethanesulfonic acid diphenyl(trifluoromethyl)sulfonium salt 
• 273-53-0 benzoxazole 
• 95-55-6 2-amino-phenol 
• 76-05-1 trifluoroacetic acid 
• 815-07-6 2,2,2-trifluoroacetimidic acid methyl ester 
• 51-19-4 2-aminophenol hydrochloride 

Relevant articles and documents

-

-

Copper-mediated perfluoroalkylation of heteroaryl bromides with (phen)CuRF

The attachment of perfluoroalkyl groups onto organic compounds has been a major synthetic goal over the past several decades. Previously, our group reported phenanthroline-ligated perfluoroalkyl copper reagents, (phen)CuR F, which react with aryl iodides and aryl boronates to form the corresponding benzotrifluorides. Herein the perfluoroalkylation of a series of heteroaryl bromides with (phen)CuCF3 and (phen)CuCF 2CF3 is reported. The mild reaction conditions allow the process to tolerate many common functional groups. Perfluoroethylation with (phen)CuCF2CF3 occurs in somewhat higher yields than trifluoromethylation with (phen)CuCF3, creating a method to generate fluoroalkyl heteroarenes that are less accessible from trifluoroacetic acid derivatives.

One-pot synthesis of 2-trifluoromethyl and 2-difluoromethyl substituted benzo-1,3-diazoles

2-Trifluoromethyl and 2-difluoromethyl substituted benzimidazole, benzoxazole and benzothiazole derivatives were efficiently prepared through a one-pot reaction of trifluoroacetic acid and difluoroacetic acid, respectively, with commercially available o-p