1206981-49-8

Basic information

• Product Name: 3-TrifluoroMethoxy-pyridin-2-ylaMine
• Synonyms: 3-TrifluoroMethoxy-pyridin-2-ylaMine;3-Trifluoromethyoxy-pyridin-2-ylamine
• CAS NO: 1206981-49-8
• Molecular Formula: C₆H₅F₃N₂O
• Molecular Weight: 178.1119096
• Mol File: 1206981-49-8.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• CAS DataBase Reference: 3-TrifluoroMethoxy-pyridin-2-ylaMine(CAS DataBase Reference)
• NIST Chemistry Reference: 3-TrifluoroMethoxy-pyridin-2-ylaMine(1206981-49-8)
• EPA Substance Registry System: 3-TrifluoroMethoxy-pyridin-2-ylaMine(1206981-49-8)

Safety Data

• Hazardous Substances Data: 1206981-49-8(Hazardous Substances Data)

Usage

General Description

3-TrifluoroMethoxy-pyridin-2-ylaMine is a chemical compound that is commonly used in the pharmaceutical industry for the synthesis of various drugs. It is an organic compound with the molecular formula C6H6F3NO, and its structure consists of a pyridine ring with a trifluoromethoxy group attached to the second carbon atom. 3-TrifluoroMethoxy-pyridin-2-ylaMine is known for its strong nucleophilic properties and is often used as a reagent in organic synthesis reactions. It is also used in the production of agrochemicals and as an intermediate in the manufacturing of various pharmaceuticals. Overall, 3-TrifluoroMethoxy-pyridin-2-ylaMine is a versatile chemical that is widely utilized in the pharmaceutical and agrochemical industries for its important synthetic properties.

Upstream product

• 15128-82-2 3-hydroxy-2-nitropyridine 
• 1361824-81-8 2-nitro-3-(trifluoromethoxy)pyridine 
• 1620575-07-6 3-(bromodifluoromethoxy)-2-nitropyridine 

Downstream Products

• 1361852-35-8 5-bromo-3-(trifluoromethoxy)pyridin-2-amine 
• 1620575-08-7 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethoxy)pyridin-2-amine 

Relevant articles and documents

Stepwise Design of γ-Secretase Modulators with an Advanced Profile by Judicious Coordinated Structural Replacements and an Unconventional Phenyl Ring Bioisostere

Starting from RO6800020 (1), our former γ-secretase modulator (GSM) lead compound, we utilized sequential structural replacements to improve the potency (IC50), pharmacokinetic properties including the free fraction (fraction unbound (fu)) in plasma, and in vivo efficacy. Importantly, we used novel CF3-alkoxy groups as bioisosteric replacements of a fluorinated phenyl ring and properties such as lipophilicity, solubility, metabolic stability, and free fraction could be balanced, maintaining low Pgp efflux needed for CNS penetration. In addition, by reducing aromaticity, we prevented phototoxicity. Additional substitution in the triazolopyridine core disturbed the binding to phosphatidylinositol 4-kinase, catalytic β (PIK4CB). We also introduced less lipophilic head heterocycles devoid of covalent binding (CVB) liability. After these changes, further modifications to the trifluoroethoxy bioisosteric replacement allowed rebalancing of properties, such as lipophilicity, and also potency. Our optimization strategy culminated with in vivo active RO7101556 (18B) having excellent properties and being selected as an advanced candidate.

SUBSTITUTED PYRAZOLES AND USES THEREOF

The present invention provides for compounds of formula 0 and various embodiments thereof, and compositions comprising compounds of formula 0 and various embodiments thereof. In compounds of formula 0, the groups R1A, R1B, R1C, R1D, R2, R3, R4, R5 and R6 have the meaning as described herein. The present invention also provides for methods of using compounds of formula 0 and compositions comprising compounds of formula 0 as DLK inhibitors and for treating neurodegeneration diseases and disorders.

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.