4,6-Dichloro-3-pyridinecarboxylic acid ethyl ester

4,6-Dichloro-3-pyridinecarboxylic acid ethyl ester - Names and Identifiers

Name	4,6-Dichloro-3-pyridinecarboxylic acid ethyl ester
Synonyms	ETHYL 4,6-DICHLORONICOTINATE 2,4-Dichloro-5-carbethoxypyridine ethyl 4,6-dichloronicotinate (en) 4,6-DICHLORONICOTINIC ACID ETHYL ESTER 4,6-Dichloronicotinic acid ethyl ester ethyl 4,6-dichloropyridine-3-carboxylate 3-Pyridinecarboxylicacid,4,6-dichloro-,ethylester 4,6-DICHLOROPYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER 4,6-Dichloro-3-pyridinecarboxylic acid ethyl ester
CAS	40296-46-6
InChI	InChI=1/C8H7Cl2NO2/c1-2-13-8(12)5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3
InChIKey	AAUBVINEXCCXOK-UHFFFAOYSA-N

4,6-Dichloro-3-pyridinecarboxylic acid ethyl ester - Physico-chemical Properties

Molecular Formula	C8H7Cl2NO2
Molar Mass	220.05
Density	1.367±0.06 g/cm3(Predicted)
Melting Point	32-34°
Boling Point	85°C/0.01mmHg(lit.)
Flash Point	120.9°C
Solubility	Soluble in methanol.
Vapor Presure	0.00484mmHg at 25°C
Appearance	Liquid
Color	Yellow
pKa	-1.24±0.10(Predicted)
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Refractive Index	1.54
MDL	MFCD00234408

4,6-Dichloro-3-pyridinecarboxylic acid ethyl ester - 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 - Wear suitable protective clothing.
HS Code	29339900
Hazard Class	IRRITANT

4,6-Dichloro-3-pyridinecarboxylic acid ethyl ester - Reference Information

use

ethyl 4, 6-dichloronicotinate is a carboxylate derivative, which can be used as a pharmaceutical intermediate and used in pharmaceutical experimental research.

Preparation

Ethyl 4, 6-dichloronicotinic acid can be used as raw material to prepare acid chloride first, and then esterify to obtain ethyl 4, 6-dichloronicotinic acid. The mixture of 4, 6-dichloronicotinic acid (20g,104mmol) in DCM(200mL) was cooled to 0°C, then DMF(0.807mL,10.42mmol) and oxalyl chloride (10.94mL,125mmol) were added. The resulting reaction was stirred at about 0°C -25°C. After about 2h, EtOH(48.7mL,833mmol) was slowly added and stirred at about 25°C for 2h. The reaction mixture was diluted with ether (50mL) and the resulting solution was washed with saturated anhydrous NaHCO3(3x 50mL). The extracts were combined and dried by anhydrous Na2SO4, filtered, and the solvent was removed in a vacuum to provide ethyl 4, 6-dichloronicotinate (18g,79%).

Last Update：2024-04-10 22:29:15