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CAS 5775-89-3

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Ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate

Description:
Ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate, with the CAS number 5775-89-3, is a chemical compound that belongs to the class of pyrazole derivatives. It is characterized by the presence of a pyrazole ring, which is a five-membered aromatic heterocycle containing two nitrogen atoms. The compound features a bromo substituent at the 4-position and ethyl ester functionality at the 5-position, contributing to its reactivity and potential applications in organic synthesis. The dimethyl groups at the 1 and 3 positions enhance its lipophilicity and may influence its biological activity. Ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique structure makes it of interest in medicinal chemistry and agrochemical research, where it may serve as a precursor or intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C8H11BrN2O2
InChI:InChI=1S/C8H11BrN2O2/c1-4-13-8(12)7-6(9)5(2)10-11(7)3/h4H2,1-3H3
InChI key:InChIKey=CVIBYCFOGAXTBZ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(Br)C(C)=NN1C
Synonyms:
  • Ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
  • 1H-Pyrazole-5-carboxylic acid, 4-bromo-1,3-dimethyl-, ethyl ester
  • Pyrazole-5-carboxylic acid, 4-bromo-1,3-dimethyl-, ethyl ester
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