100047-66-3

Basic information

• Product Name: 3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI)
• Synonyms: 3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI);1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid(SALTDATA: FREE);1-Methyl-6-oxo-pyridazine-3-carboxylate
• CAS NO: 100047-66-3
• Molecular Formula: C₆H₆N₂O₃
• Molecular Weight: 154.124
• Product Categories: GLYCINESCAFFOLD
• Mol File: 100047-66-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: 239 °C(Solv: water (7732-18-5))
• Boiling Point: 316.5 °C at 760 mmHg
• Flash Point: 145.2 °C
• Appearance: /
• Density: 1.44g/cm³
• Vapor Pressure: 8.73E-05mmHg at 25°C
• Refractive Index: 1.608
• Storage Temp.: 2-8°C
• PKA: -2.98±0.20(Predicted)
• CAS DataBase Reference: 3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI)(100047-66-3)
• EPA Substance Registry System: 3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI)(100047-66-3)

Safety Data

• Hazardous Substances Data: 100047-66-3(Hazardous Substances Data)

Usage

General Description

3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI) is a chemical compound of the pyridazine group. Pyridazine is a heterocyclic compound with two nitrogen atoms in the six-membered ring - a less common structure among organic compounds. This particular chemical has a carboxylic acid, known for its acidity and potential to form diverse compounds, attached to the ring. It is further characterized by a methyl group that can participate in many chemical reactions, and by an oxo group, commonly found in carbonyl compounds. The '1,6-dihydro-1-methyl-6-oxo' descriptor signifies certain details about this chemical's molecular structure. Specific applications and properties of this compound might vary widely and would need to be sought in detailed chemical literature.

InChI:InChI=1/C6H6N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H,1H3,(H,10,11)

Upstream product

• 50500-59-9 2,6-dimethyl-2H-pyridazin-3-one 
• 867130-64-1 1-methyl-6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid ethyl ester 
• 74173-58-3 methyl 1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate 
• 63001-31-0 ethyl 1,6-dihydro-6-oxopyridazine-3-carboxylate 
• 13327-27-0 6-Methylpyridazin-3(2H)-on 
• 1121-79-5 3-chloro-6-methylpyridazine 
• 33548-32-2 1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid 
• 37972-69-3 6-oxo-1,6-dihydropyridazine-3-carboxylic acid 
• 4637-24-5 N,N-dimethyl-formamide dimethyl acetal 

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.