33548-32-2

Basic information

• Product Name: 1-METHYL-6-OXO-1,4,5,6-TETRAHYDROPYRIDAZINE-3-CARBOXYLIC ACID
• Synonyms: 1-Methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid;1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid(SALTDATA: FREE);1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;6-keto-1-methyl-4,5-dihydropyridazine-3-carboxylic acid
• CAS NO: 33548-32-2
• Molecular Formula: C₆H₈N₂O₃
• Molecular Weight: 156.14
• Mol File: 33548-32-2.mol
• Article Data: 3

Chemical Properties

• Melting Point: 159-160 °C
• Boiling Point: 308.9°Cat760mmHg
• Flash Point: 140.6°C
• Appearance: /
• Density: 1.45g/cm³
• Vapor Pressure: 0.000148mmHg at 25°C
• Storage Temp.: 2-8°C
• PKA: -2.13±0.20(Predicted)
• CAS DataBase Reference: 1-METHYL-6-OXO-1,4,5,6-TETRAHYDROPYRIDAZINE-3-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1-METHYL-6-OXO-1,4,5,6-TETRAHYDROPYRIDAZINE-3-CARBOXYLIC ACID(33548-32-2)
• EPA Substance Registry System: 1-METHYL-6-OXO-1,4,5,6-TETRAHYDROPYRIDAZINE-3-CARBOXYLIC ACID(33548-32-2)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 33548-32-2(Hazardous Substances Data)

Usage

General Description

1-Methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid is a chemical compound of the molecular formula C7H8N2O4. It belongs to the class of organic compounds known as pyridazinones, which are polycyclic aromatic compounds containing a pyridazine ring bearing a ketone. These compounds are characterized by a six-membered aromatic ring where two nitrogen atoms replace two carbon atoms. Not much information is available regarding its specific properties or applications. Like other pyridazinones, it may exist in different isomeric forms. Due to the presence of the carboxylic acid functional group, it is likely to have acidic properties. Further research is needed to understand its potential uses and activities.

InChI:InChI=1/C6H8N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H2,1H3,(H,10,11)/p-1

Upstream product

• 328-50-7 α-ketoglutaric acid 
• 60-34-4 methylhydrazine 
• 27372-38-9 6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid 
• 302-15-8 methylhydrazine sulfuric acid 
• 90110-44-4 methyl 1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylate 
• 89532-94-5 methyl 6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylate 

Downstream Products

• 100047-66-3 1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid 

Relevant articles and documents

COMPOUNDS AND USES THEREOF

The present invention features compounds useful in the treatment of neurological disorders and primary brain cancer. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders and primary brain cancer.

Synthesis, tautomeric forms, specific intermolecular interactions, and lipophilicity of methylated 6-hydroxypyridazine-3-carboxylic acid and its 4,5-dihydro analogs

Effects of methylation for intermolecular interactions and lipophilicity have been studied for a series of methylated 4,5-dihydro-6-hydroxypyridazine-3- carboxylic and 6-hydroxypyridazine-3-carboxylic acids (1 and 2). In solution they exist in equilibrium of the lactam and lactim tautomers, with the reverse preferences for analogs 1 and 2, which affect the syntheses of their methylated derivatives. Carboxylic acid 2 preferably crystallizes as a hydrate, built of carboxylate anions and hydronium cations 2-·H 3O+, hydrogen bonded into catemeric patterns involving both ions. In methyl 4,5-dihydro-6-oxopyridazine-3-carboxylate (4A) the molecules are NH?O hydrogen bonded into chains. In both structures 2 -·H3O+ and 4A, there are relatively strong CH?O hydrogen bonds, arranging the molecules into sheets. The increased lipophilicity of the methylated derivatives has been correlated with the formation of CH?O bonds.