2,3-Difluoroisonicotinic acid

2,3-Difluoroisonicotinic acid - Names and Identifiers

Name	2,3-Difluoropyridine-4-carboxylic acid
Synonyms	2,3-Fifluoroisonicotinic acid 2,3-Difluoroisonicotinic acid 2,3-Difluoro-4-carboxypyridine 2,3-Difluoropyridine-4-carboxylic acid 2,3-difluoro-4-pyridinecarboxylic acid 4-Pyridinecarboxylic acid, 2,3-difluoro- 2,3-Difluoropyridine-4-carboxylic acid, 4-Carboxy-2,3-difluoropyridine
CAS	851386-31-7
EINECS	214-589-6
InChI	InChI=1/C6H3F2NO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2H,(H,10,11)

2,3-Difluoroisonicotinic acid - Physico-chemical Properties

Molecular Formula	C6H3F2NO2
Molar Mass	159.09
Density	1.535
Melting Point	159-160 °C
Boling Point	377.4±37.0 °C(Predicted)
Flash Point	182.1°C
Solubility	soluble in Methanol
Vapor Presure	2.28E-06mmHg at 25°C
Appearance	powder to crystal
Color	White to Orange to Green
pKa	2.10±0.10(Predicted)
Storage Condition	2-8°C
Refractive Index	1.515
MDL	MFCD09031174

2,3-Difluoroisonicotinic acid - Risk and Safety

Hazard Symbols	Xn - Harmful
Risk Codes	22 - Harmful if swallowed
WGK Germany	3
Hazard Class	IRRITANT

2,3-Difluoroisonicotinic acid - Reference Information

Introduction

2, 3-difluoropyridine-4-carboxylic acid, it can be prepared from 2, 3-difluoropyridine in one step. It has been reported in the literature that it can be used to prepare AOC3 inhibitors.

preparation

distilled from n-BuLi(26.1mL,52.09mmol) in THF(70mL,Na) at -78 °c to the solution in, N,N-diisopropylamine (7.30mL,52.09mmol) and 2, 3-difluoropyridine (5.00g,43.41mmol) were added successively. The resulting mixture was stirred at -78 °c for 1 H and then poured onto crushed dry ice (excess). The reaction was allowed to warm to room temperature for 1 H, and after evaporation of excess dry ice and THF, the residue was added to water (100ml) and washed with EtOAc(2 x 50ml). The aqueous layer was then acidified to pH
1 and extracted with EtOAc(2 x 100ml). The combined organic extracts were dried and evaporated to give the product 2, 3-difluoropyridine-4-carboxylic acid. Yield = 2.39g,35%.

Last Update：2024-04-09 21:01:54