Ethyl 4,6-dihydroxynicotinate

Ethyl 4,6-dihydroxynicotinate - Names and Identifiers

Name	4,6-Dihydroxynicotinic Acid Ethyl Ester
Synonyms	BUTTPARK 15357-32 2,4-Dihydroxy-5-(ethoxycar Ethyl 4,6-dihydroxynicotinate 4,6-Dihydroxynicotinic Acid Ethyl Ester 4, 6-DIHYDROXYNICOTINIC ACID ETHYL ESTER ethyl 6-hydroxy-4-oxo-1H-pyridine-3-carboxylate 4,6-DIHYDROXYPYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER ethyl 6-hydroxy-4-oxo-1,4-dihydropyridine-3-carboxylate 6-hydroxy-4-keto-1H-pyridine-3-carboxylic acid ethyl ester 1,6-Dihydro-4-hydroxy-6-oxo-3-pyridinecarboxylic acid ethyl ester
CAS	6975-44-6
InChI	InChI=1/C8H9NO4/c1-2-13-8(12)5-4-9-7(11)3-6(5)10/h3-4H,2H2,1H3,(H2,9,10,11)

Ethyl 4,6-dihydroxynicotinate - Physico-chemical Properties

Molecular Formula	C8H9NO4
Molar Mass	183.16
Density	1.380
Melting Point	214-217°
Boling Point	339.4±42.0 °C(Predicted)
Flash Point	254.757°C
Vapor Presure	0mmHg at 25°C
pKa	4.50±1.00(Predicted)
Storage Condition	Inert atmosphere,Room Temperature
Refractive Index	1.579
MDL	MFCD00834976

Ethyl 4,6-dihydroxynicotinate - Risk and Safety

Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
HS Code	29339900
Hazard Class	IRRITANT

Ethyl 4,6-dihydroxynicotinate - Reference Information

overview

ethyl 4, 6-dihydroxynicotinate is an organic compound that can be used as an intermediate in pharmaceutical and chemical synthesis.

preparation method

diethyl 1,3-acetone dicarboxylic acid (160g,0.79mol), triethyl orthoformate (129g,0.87mol) and acetic anhydride (161g,1.58mol) were added to a 2L flask. The resulting mixture was heated at 120°C for 1.5 hours. The mixture was cooled to room temperature and the volatiles were removed under vacuum. The residue was then cooled in an ice bath and 30% ammonia (65mL) was added. The reaction mixture was stirred at 0°C for 1 hour and then acidified with 2N hydrochloric acid to pH <5. Vacuum concentrate the mixture. The crude residue was purified by silica gel chromatography (1:1 hexane/ethyl acetate eluate) to give ethyl 4, 6-dihydroxynicotinate.

Last Update：2024-04-09 20:49:11