1221171-97-6

Basic information

• Product Name: 2-chloro-6-(trifluoroMethoxy)isonicotinic acid
• Synonyms: 2-chloro-6-(trifluoroMethoxy)isonicotinic acid
• CAS NO: 1221171-97-6
• Molecular Weight: 241.5518296
• Mol File: 1221171-97-6.mol

Chemical Properties

• CAS DataBase Reference: 2-chloro-6-(trifluoroMethoxy)isonicotinic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-chloro-6-(trifluoroMethoxy)isonicotinic acid(1221171-97-6)
• EPA Substance Registry System: 2-chloro-6-(trifluoroMethoxy)isonicotinic acid(1221171-97-6)

Safety Data

• Hazardous Substances Data: 1221171-97-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-Chloro-6-(trifluoromethoxy)isonicotinic acid is used as a building block for the synthesis of pharmaceutical drugs. Its unique chemical structure allows for the development of new drug candidates with potential therapeutic applications.
Used in Agrochemical Industry:
2-Chloro-6-(trifluoromethoxy)isonicotinic acid is used as a building block for the synthesis of agrochemicals. Its versatile chemical structure enables the development of new agrochemical products with potential applications in agriculture and pest control.
Used in Medicinal Chemistry Research:
2-Chloro-6-(trifluoromethoxy)isonicotinic acid is used as a research compound in medicinal chemistry. Its unique chemical properties make it a valuable tool for studying the structure-activity relationships of various drug candidates and for the development of new therapeutic agents.
Used in Drug Development:
2-Chloro-6-(trifluoromethoxy)isonicotinic acid is used in drug development as a potential lead compound for the discovery of new pharmaceutical drugs. Its chemical structure can be modified and optimized to improve the potency, selectivity, and pharmacokinetic properties of drug candidates.

Upstream product

• 124-38-9 carbon dioxide 
• 1221171-96-5 2-chloro-4-iodo-6-(trifluoromethoxy)pyridine 

Relevant articles and documents

METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES

The present invention pertains to a process for the preparation of functionalized trihalomethoxypyridines of formula (I) comprising reacting hydroxypyridines with thiophosgene in the presence of a base; reacting the obtained chlorothionoformiates with elemental chlorine and finally converting trichloromethoxy pyridines to trihalomethoxy pyridines using a fluoride source.

A general approach to (trifluoromethoxy)pyridines: First X-ray structure determinations and quantum chemistry studies

The previously unknown 2-, 3-, and 4-(trifluoromethoxy)pyridines have now become readily accessible by means of an efficient and straightforward large-scale synthesis. Their regioselective functionalization by organometallic methods has been studied and has afforded new and highly important building blocks for life-sciences-oriented research. In addition, the first X-ray crystallographic structure determinations of (trifluoromethoxy)pyridines have been performed. Lowest-energy conformations of (trifluoromethoxy)pyridines and (trifluoromethoxy)pyridinium cations were determined by in silico studies. A general and efficient route to (trifluoromethoxy)pyridines is reported. Regioselective functionalization by organometallic methods afforded new and highly important building blocks for life-sciences-oriented research. The first X-ray crystallographic structure determinations of (trifluoromethoxy)pyridines have been performed and supported by in silico studies.