2-Hydroxy-3-(trifluoromethyl)pyridine , 98% , 22245-83-6

CAS NO.：22245-83-6

Empirical Formula: C6H4F3NO

Molecular Weight: 163.1

MDL number: MFCD00153194

EINECS: 671-273-7

PRODUCT Properties

• Melting point: 150-153°C
• Boiling point: 223.7±40.0 °C(Predicted)
• Density: 1.398±0.06 g/cm3(Predicted)
• storage temp.: Inert atmosphere,Room Temperature
• form: powder to crystal
• pka: 9.67±0.10(Predicted)
• color: White to Almost white
• InChI: InChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-10-5(4)11/h1-3H,(H,10,11)
• InChIKey: JHDCDEHVUADNKQ-UHFFFAOYSA-N
• SMILES: C1(=O)NC=CC=C1C(F)(F)F
• LogP: 0.71 at 25℃
• CAS DataBase Reference: 22245-83-6(CAS DataBase Reference)

Description and Uses

2-hydroxy-3-(trifluoromethyl)pyridine (or 3-(Trifluoromethyl)-2-pyridone) is a trifluoromethyl substituted 2-hydroxypyridine. It is used as a synthesis intermediate for ligands and bioactive ingredients in the application of drug discovery and catalytic reactions. In catalytic reactions, the amide group of 2-pyridone binds to transition metals, forming stable 5-/6-membered ring intermediates. Hence, 2-hydroxy-3-(trifluoromethyl)pyridine is widely used as a ligand in catalytic reactions such as directed C-H activation on meta-position. In addition, the trifluoromethyl substituent of 3-(trifluoromethyl)-2-pyridone tunes its metal-binding affinity and limits the reaction site for improving regioselectivity.

2-Hydroxy-3-trifluoromethylpyridine is a reactant in the synthesis of Pyrido[2,3-b]pyrazine, a TRPV1 antagonist .

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P305+P351+P338
• Hazard Codes: Xi,Xn,T
• Risk Statements: 36/37/38-65-20/21/22-20/21-36-25
• Safety Statements: 26-36/37/39-36-45
• RIDADR: UN2811
• HazardClass: IRRITANT
• HS Code: 29333990