6-Chloropyridazine-3-carboxylic acid Chemical Properties

Melting point:

146 °C

Boiling point:

429.0±25.0 °C(Predicted)

Density 

1.579±0.06 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

pka

2.68±0.10(Predicted)

form 

Crystalline Powder

color 

White to cream

InChI

InChI=1S/C5H3ClN2O2/c6-4-2-1-3(5(9)10)7-8-4/h1-2H,(H,9,10)

InChIKey

HHGZQZULOHYEOH-UHFFFAOYSA-N

SMILES

C1(C(O)=O)=NN=C(Cl)C=C1

CAS DataBase Reference

5096-73-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

HazardClass 

IRRITANT

HS Code 

29339980

6-Chloropyridazine-3-carboxylic acid Usage And Synthesis

Chemical Properties

6-Chloropyridazine-3-carboxylic acid is Brown green powder

Uses

6-Chloropyridazine-3-carboxylic acid is a pyradazine derivative used in the preparation of stearoyl-CoA desaturase inhibitors.

Synthesis

General procedure for the synthesis of 6-chloropyridazine-3-carboxylic acid from ethyl 6-chloropyridazine-3-carboxylate: (Step-1) To a solution of ethyl 6-chloropyridazine-3-carboxylate (1.00 g, 5.36 mmol) in tetrahydrofuran (THF, 10 mL) was added a solution of lithium hydroxide (LiOH, 0.655 g, 26.8 mmol, 5 equiv) in water (10 mL). The reaction mixture was stirred at room temperature for 45 minutes. Upon completion of the reaction, the mixture was poured into 2 M hydrochloric acid and extracted with dichloromethane (DCM). The organic phases were combined and concentrated under reduced pressure to give 6-chloropyridazine-3-carboxylic acid as a white solid (770 mg, 91% yield).LC-MS (positive ESI): m/z 159/161 [M+H]+.

References

[1] Patent: WO2015/67701, 2015, A1. Location in patent: Page/Page column 44

6-Chloropyridazine-3-carboxylic acid(5096-73-1)Related Product Information

• 6-Chloro-pyridazine-3-carboxylic acid ethyl ester
• Benzyl chloroformate
• Thioridazine
• Sulfachoropyrazine sodium
• (+)-MENTHYL CHLOROFORMATE
• Sulfachloropyridazine sodium
• Allyl chloroformate
• Hydralazine
• 3-Chloroperoxybenzoic acid
• Hydrochlorothiazide
• 6-Chloropyridazine-3-carboxamide
• 2-Pyrazinecarboxylic acid, 6-chloro-, ethyl ester
• 6-Chloropyrazine-2-carboxylic acid
• 3-Pyridazinecarboxylic acid, 6-chloro-,1-methylethyl ester
• Methyl chloroformate
• t-butyl chloroformate
• Ethyl chloroformate
• 3,6-Dichloropyridazine-4-carboxylic acid