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CAS 117860-55-6

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3-Methyl 1-methyl-1H-pyrazole-3,5-dicarboxylate

Description:
3-Methyl 1-methyl-1H-pyrazole-3,5-dicarboxylate, with the CAS number 117860-55-6, is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features two carboxylate groups at the 3 and 5 positions of the pyrazole ring, contributing to its acidic properties. The presence of a methyl group at the 1 position enhances its lipophilicity, potentially influencing its solubility and reactivity. It is typically a white to off-white solid and is soluble in polar organic solvents. This compound is of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential biological activities and applications in the synthesis of other chemical entities. Its reactivity can be attributed to the presence of the carboxylate groups, which can participate in various chemical reactions, including esterification and amidation. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C7H8N2O4
InChI:InChI=1S/C7H8N2O4/c1-9-5(6(10)11)3-4(8-9)7(12)13-2/h3H,1-2H3,(H,10,11)
InChI key:InChIKey=JXXJEKYENYTLSX-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=C(C(O)=O)N(C)N1
Synonyms:
  • 3-Methyl 1-methyl-1H-pyrazole-3,5-dicarboxylate
  • 1-Methyl-1H-pyrazole-3,5-dicarboxylic acid 3-methyl ester
  • 1H-Pyrazole-3,5-dicarboxylic acid, 1-methyl-, 3-methyl ester
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