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CAS 221323-54-2

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Ethyl 5-formyl-1-methyl-1H-pyrazole-3-carboxylate

Description:
Ethyl 5-formyl-1-methyl-1H-pyrazole-3-carboxylate, with the CAS number 221323-54-2, is a chemical compound that belongs to the pyrazole family, characterized by its unique five-membered ring structure containing two nitrogen atoms. This compound features a formyl group (-CHO) and an ethyl ester group (-COOEt), which contribute to its reactivity and potential applications in organic synthesis. It is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents due to the presence of both hydrophilic and hydrophobic functional groups. The compound is of interest in medicinal chemistry and agrochemicals, as derivatives of pyrazole are known for their biological activities, including anti-inflammatory and antimicrobial properties. Its synthesis often involves multi-step reactions, and it can serve as an intermediate in the preparation of more complex molecules. Safety data should be consulted for handling, as with any chemical substance, to ensure proper precautions are taken during its use in laboratory or industrial settings.
Formula:C8H10N2O3
InChI:InChI=1S/C8H10N2O3/c1-3-13-8(12)7-4-6(5-11)10(2)9-7/h4-5H,3H2,1-2H3
InChI key:InChIKey=HXXLCBOXHRPRMJ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C=C(C=O)N(C)N1
Synonyms:
  • Ethyl 5-formyl-1-methyl-1H-pyrazole-3-carboxylate
  • 1H-Pyrazole-3-carboxylic acid, 5-formyl-1-methyl-, ethyl ester
  • 5-Formyl-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
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