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

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

Uses

Given the provided materials, specific applications for 3-Pyridazinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-(6CI) are not explicitly mentioned. However, based on the general properties of similar compounds, potential uses could include:
Used in Pharmaceutical Industry:
3-Pyridazinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-(6CI) could be used as an active pharmaceutical ingredient or an intermediate in the synthesis of drugs, due to its heterocyclic structure and functional groups that can be involved in various chemical reactions.
Used in Chemical Research:
As a heterocyclic compound with unique structural features, 3-Pyridazinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-(6CI) may be utilized in chemical research for studying reactions, mechanisms, and the development of new synthetic pathways.
Used in Material Science:
3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI) might also find applications in material science, potentially serving as a component in the development of new materials with specific properties, such as conductivity, stability, or reactivity, depending on its chemical behavior.

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

Upstream product

• 74173-58-3 methyl 1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate 
• 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 
• 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 
• 867130-64-1 1-methyl-6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid ethyl ester 
• 50500-59-9 2,6-dimethyl-2H-pyridazin-3-one 

Downstream Products

• 89581-57-7 2-Methyl-pyridazin-3-on-6-carbonsaeure-chlorid 

Relevant articles and documents

COMPOUNDS AND USES THEREOF

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COMPOUNDS AND USES THEREOF

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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.