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6-氯哒嗪-3-羧基 酸

6-Chloropyridazine-3-carboxylic acid

CAS: 5096-73-1

Molecular Formula: C5H3ClN2O2

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6-氯哒嗪-3-羧基 酸 - Names and Identifiers

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)

6-氯哒嗪-3-羧基 酸 - Physico-chemical Properties

Molecular FormulaC5H3ClN2O2
Molar Mass158.54
Density1.579±0.06 g/cm3(Predicted)
Melting Point146 °C
Boling Point429.0±25.0 °C(Predicted)
Flash Point213.245°C
Vapor Presure0mmHg at 25°C
AppearanceWhite powder
ColorWhite to cream
pKa2.68±0.10(Predicted)
Storage ConditionInert atmosphere,Room Temperature
Refractive Index1.598
MDLMFCD00160464

6-氯哒嗪-3-羧基 酸 - Risk and Safety

Hazard SymbolsXi - Irritant
Irritant
HS Code29339980
Hazard ClassIRRITANT

6-氯哒嗪-3-羧基 酸 - Reference Information

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
6-氯哒嗪-3-羧基 酸
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View History
6-氯哒嗪-3-羧基 酸
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