6-Chloropyridazine-3-carboxylic acid

Name	6-Chloropyridazine-3-carboxylic acid
Synonyms	CML-036 3-Chloropyridazine-6-carb... 3-Carboxy-6-chloropyridazine 6-CHLORO-3-CARBOXY-PYRIDAZINE 6-Chloropyridazine-3-carboxylic acid 3-chloropyridazine-6-carboxylic acid 6-Chloro-3-pyridazinecarboxylic acid 3-pyridazinecarboxylic acid, 6-chloro- 3-Pyridazinecarboxylic acid, 6-chloro- Acide 6-chloropyridazine-3-carboxylique
CAS	5096-73-1
InChI	InChI=1/C5H3ClN2O2/c6-4-2-1-3(5(9)10)7-8-4/h1-2H,(H,9,10)

Molecular Formula	C5H3ClN2O2
Molar Mass	158.54
Density	1.579±0.06 g/cm3(Predicted)
Melting Point	146 °C
Boling Point	429.0±25.0 °C(Predicted)
Flash Point	213.245°C
Vapor Presure	0mmHg at 25°C
Appearance	White powder
Color	White to cream
pKa	2.68±0.10(Predicted)
Storage Condition	Inert atmosphere,Room Temperature
Refractive Index	1.598
MDL	MFCD00160464

Properties	6-chlorpyridine-3-carboxylic acid is white crystal powder at room temperature and pressure.
Use	6-chlorpyridine-3-carboxylic acid can be used as a small molecule intermediate in pharmaceutical chemistry and pesticides. In the synthesis and transformation, it mainly revolves around the structure Carboxyl group, the carboxyl group can undergo esterification reaction, reduction reaction, and acyl chlorination reaction without being affected by the two nitrogen atoms in the pyridazine molecule.
synthesis method	add 3-chloro -6-methylpyridazine (155.6 mmol) solution in 140 mL concentrated sulfuric acid to the vacuum dry reaction bottle, and then slowly add fine powdered potassium dichromate (55.40 g) under stirring, carefully detect the reaction temperature to ensure that the temperature remains below 50°C. When the addition is completed, continue stirring at 50°C for another 4 hours. Then cool the obtained viscous dark green liquid and carefully add crushed ice, extract the reaction mixture with ethyl acetate (6 x400mL), stratify the mixture, separate the organic layer, and combine the separated ethyl acetate extract, Dry with anhydrous sodium sulfate, filter to remove the sodium sulfate solid, vacuum concentration to remove the organic solvent to obtain the target molecule 6-chlorpyridine-3-carboxylic acid, which is light red, yield 106.6 mmol 69%. Figure 6-Chlorpyridine-3-carboxylic acid synthesis route

Last Update：2024-04-09 21:21:28