214288-07-0

Basic information

• Product Name: Ethanone, 1-(2-amino-5-fluorophenyl)-2,2,2-trifluoro- (9CI)
• Synonyms: Ethanone, 1-(2-amino-5-fluorophenyl)-2,2,2-trifluoro- (9CI);1 - (2 - AMino - 5 - fluorophenyl) - 2,2,2 - trifluoroethanone;1-(2-Amino-5-fluorophenyl)-2,2,2-trifluoroethan-1-one, 4-Fluoro-2-(trifluoroacetyl)aniline;2'-Amino-5'-fluoro-2,2,2-trifluoroacetophenone
• CAS NO: 214288-07-0
• Molecular Formula: C₈H₅F₄NO
• Molecular Weight: 207.1250128
• Product Categories: ACETYLHALIDE
• Mol File: 214288-07-0.mol

Chemical Properties

• Boiling Point: 242.1±35.0 °C(Predicted)
• Appearance: /
• Density: 1.439±0.06 g/cm3(Predicted)
• PKA: -0.23±0.10(Predicted)
• CAS DataBase Reference: Ethanone, 1-(2-amino-5-fluorophenyl)-2,2,2-trifluoro- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 1-(2-amino-5-fluorophenyl)-2,2,2-trifluoro- (9CI)(214288-07-0)
• EPA Substance Registry System: Ethanone, 1-(2-amino-5-fluorophenyl)-2,2,2-trifluoro- (9CI)(214288-07-0)

Safety Data

• Hazardous Substances Data: 214288-07-0(Hazardous Substances Data)

Usage

Uses

Used in Medicinal Chemistry Research:
Ethanone, 1-(2-amino-5-fluorophenyl)-2,2,2-trifluoro(9CI) is employed as a research chemical in medicinal chemistry for its potential role in the development of new drugs or treatments. Its unique structure and properties are being investigated to understand its interactions with biological systems and its potential therapeutic effects.
Used in Pharmaceutical Development:
In the pharmaceutical industry, Ethanone, 1-(2-amino-5-fluorophenyl)-2,2,2-trifluoro- (9CI) is used as a research chemical to aid in the discovery and development of novel pharmaceuticals. Its specific characteristics may contribute to the creation of innovative treatments for a range of medical conditions, although further research is required to determine its exact applications and efficacy.

Upstream product

• 253668-35-8 N-[4-fluoro-2-(trifluoroacetyl)phenyl]-2,2-dimethylpropionamide 
• 371-40-4 4-fluoroaniline 
• 383-63-1 ethyl trifluoroacetate, 

Downstream Products

• 1370794-45-8 (R)-2-(2-amino-5-fluorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol methanesulfonate 
• 1370794-44-7 (R)-2-(2-amino-5-fIuorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol 

Relevant articles and documents

Benzylidene succinimides as 3C synthons for the asymmetric tandem Mannich reaction/transamidation of cyclic trifluoromethyl ketimines to obtain F3C-containing polycyclic dihydroquinazolinones

By taking advantage of benzylidene succinimides as a new class of 3C synthons, a highly diastereo- and enantioselective tandem Mannich reaction/transamidation has been established by reacting them with cyclic trifluoromethylN-acyl ketimines. Using aCinchonaalkaloid-derived squaramide as the catalyst, the tandem reaction proceeded smoothly under mild conditions and afforded a range of F3C-containing chiral polycyclic dihydroquinazolinones with excellent results (up to 99% yield, all cases >20?:?1 dr, up to 99% ee).

Phosphine-Catalyzed Intermolecular Annulations of Fluorinated ortho-Aminophenones with Alkynones – The Switchable [4+2] or [4+2]/[3+2] Cycloaddition

A phosphine-catalyzed intermolecular annulation reaction of functionalized ortho-aminoacetophenones with alkynones has been disclosed in this paper. A variety of 2-alkynylquinolines and benzo-fused indolizine were selectively afforded in moderate to good yields at different reaction temperatures and with different phosphine catalysts via the in situ generated zwitterionic intermediate derived from alkynone and phosphine. (Figure presented.).

NHC-Cu(I)-Catalyzed Friedl?nder-Type Annulation of Fluorinated o-Aminophenones with Alkynes on Water: Competitive Base-Catalyzed Dibenzo[b,f][1,5]diazocine Formation

An efficient, easily scalable synthesis of 4-trifluoromethylquinolines and naphthydrines (as well as their difluoro- and perfluoro-analogues) as a result of tandem direct catalytic alkynylation/dehydrative condensation of o-aminofluoromethylketones (o-FMKs), for the first time catalyzed by NHC-copper(I) complexes on water, is reported. A wide range of terminal alkynes is tolerated under the reaction conditions, including β-lactam-, steroid-, and sugar-derived ones, leading to desired quinolines and naphthydrines with good yields. Further investigations proved that o-FMKs could be efficiently transformed into a rare class of heterocyclic compounds - dibenzo[b,f][1,5]diazocines - by a base-catalyzed condensation, also on water. The developed method was applied for gram-scale synthesis of a fluorinated analogue of G protein-coupled receptor antagonist (GPR91).

1,4-benzodiazepin-2-ones useful as HIV reverse transcriptase inhibitors

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5,5-disubstituted-1,5-dihydro-4,1-benzoxazepin-2 (3H)-ones useful as HIV reverse transcriptase inhibitors

The present invention relates to benzoxazepinones of formula I: STR1 or stereoisomeric forms or mixtures, or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of HIV reverse transcriptase, and to pharmaceutical compositions and diagnostic kits comprising the same and methods of using the same for treating viral infection or as an assay standard or reagent.

Synthesis and evaluation of analogs of Efavirenz (SUSTIVA(TM)) as HIV-1 reverse transcriptase inhibitors

Efavirenz (SUSTIVA(TM)) is a potent non-nucleoside reverse transcriptase inhibitor. Due to the observation of breakthrough mutations of the reverse transcriptase enzyme during Efavirenz therapy, we sought to develop an optimized second generation series. To that end, SAR of the substituents on the aromatic ring was undertaken and the results are summarized here. The 5,6-difluoro (4f) and the 6-methoxy (4m) substituted benzoxazinones were determined to be equipotent, and as a result such substitution patterns will be incorporated in second generation scaffolds.