205756-22-5

Basic information

• Product Name: 4-CHLORO-2-TRIFLUOROACETYL-6-METHOXYANILINE
• Synonyms: 4-CHLORO-2-TRIFLUOROACETYL-6-METHOXYANILINE
• CAS NO: 205756-22-5
• Molecular Formula: C₉H₇ClF₃NO₂
• Molecular Weight: 253.6055896
• Product Categories: Chemical Amines;Amines;Aromatics;Amines, Aromatics
• Mol File: 205756-22-5.mol

Chemical Properties

• Boiling Point: 306.7°C at 760 mmHg
• Flash Point: 139.3°C
• Appearance: /
• Density: 1.444g/cm³
• Vapor Pressure: 0.000757mmHg at 25°C
• Refractive Index: 1.51
• Solubility: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• PKA: -0.86±0.10(Predicted)
• CAS DataBase Reference: 4-CHLORO-2-TRIFLUOROACETYL-6-METHOXYANILINE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLORO-2-TRIFLUOROACETYL-6-METHOXYANILINE(205756-22-5)
• EPA Substance Registry System: 4-CHLORO-2-TRIFLUOROACETYL-6-METHOXYANILINE(205756-22-5)

Safety Data

• Hazardous Substances Data: 205756-22-5(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
4-Chloro-2-trifluoroacetyl-6-methoxyaniline is used as a synthetic intermediate for the development of a wide range of chemical compounds. Its unique structure, which includes a chlorine atom, a trifluoroacetyl group, and a methoxyaniline moiety, allows it to participate in various chemical reactions, facilitating the formation of diverse molecules with potential applications in different industries.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-Chloro-2-trifluoroacetyl-6-methoxyaniline is used as a building block for the synthesis of novel drug candidates. Its chemical properties enable it to be modified and functionalized to create new molecules with potential therapeutic effects. These molecules may target specific biological pathways or receptors, offering new treatment options for various diseases and medical conditions.
Used in Chemical Research:
4-Chloro-2-trifluoroacetyl-6-methoxyaniline also plays a significant role in chemical research, where it is employed as a model compound to study various reaction mechanisms and explore new synthetic methodologies. Researchers can use 4-CHLORO-2-TRIFLUOROACETYL-6-METHOXYANILINE to gain insights into the reactivity of different functional groups and develop innovative strategies for the synthesis of complex organic molecules.
Used in Material Science:
In the field of material science, 4-Chloro-2-trifluoroacetyl-6-methoxyaniline can be used as a component in the development of new materials with specific properties. Its unique structure may contribute to the creation of materials with enhanced performance characteristics, such as improved stability, reactivity, or selectivity, which can be applied in various industrial applications.

InChI:InChI=1/C9H7ClF3NO2/c1-16-6-3-4(10)2-5(7(6)14)8(15)9(11,12)13/h2-3H,14H2,1H3

Upstream product

• 383-63-1 ethyl trifluoroacetate, 
• 113137-29-4 N-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropanamide 
• 93-50-5 4-chloro-o-anisidine 
• 6627-53-8 1-chloro-3-methoxy-4-nitrobenzene 

Downstream Products

• 205756-24-7 2'-amino-5'-chloro-3'-(t-butyldimethylsilyloxy)-2,2,2-trifluoroacetophenone 
• 205754-33-2 8-Hydroxyefavirenz 
• 205754-32-1 6-chloro-4-cyclopropylethynyl-8-hydroxy-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one 
• 205756-25-8 2-(2-Amino-5-chloro-3-(t-butyldimethylsilyloxy)-phenyl)-4-cyclopropyl-1,1,1-trifluoro-3-butyn-2-ol 
• 1027042-31-4 8-(tert-butyl-dimethyl-silanyloxy)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one 
• 205756-23-6 2'-amino-5'-chloro-3'-hydroxy-2,2,2-trifluoroacetophenone 

Relevant articles and documents

4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME

The present invention relates to benzoxazinones of formula I, 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, methods of using same for treating viral infection or as an assay standard or reagent, and intermediates and processes for making the same.

Synthesis and biological activities of potential metabolites of the non-nucleoside reverse transcriptase inhibitor efavirenz

Studies on the biotransformation of the clinically important non-nucleoside reverse transcriptase inhibitor efavirenz have shown that oxidation and secondary conjugation are important components of the processing of this molecule in vivo. We have synthesized metabolites of efavirenz to confirm their structure and to evaluate their activity as antivirals.

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.

4,4-disubstitued-1,4-dihydro-2H-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same

The present invention relates to benzoxazinones 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, methods of using the same for treating viral infection or as an assay standard or reagent, and intermediates and processes for making the same.