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CAS 512809-16-4

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

Description:
5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features two carboxylate groups (-COO-) at the 3 and 5 positions of the pyrazole ring, contributing to its acidic properties. The presence of an ethyl group at the 5 position and a methyl group at the 1 position enhances its lipophilicity and may influence its reactivity and solubility in organic solvents. The compound is typically used in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its potential biological activity. Its molecular structure allows for various functionalization possibilities, making it a versatile intermediate in chemical synthesis. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper safety protocols are followed.
Formula:C8H10N2O4
InChI:InChI=1S/C8H10N2O4/c1-3-14-8(13)6-4-5(7(11)12)9-10(6)2/h4H,3H2,1-2H3,(H,11,12)
InChI key:InChIKey=JLSQQJCFVRBJAS-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(C(O)=O)=NN1C
Synonyms:
  • 1H-Pyrazole-3,5-dicarboxylic acid, 1-methyl-, 5-ethyl ester
  • 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate
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