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CAS 163213-29-4

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DIMETHYL 1-(2-BROMOETHYL)-1H-PYRAZOLE-3,5-DICARBOXYLATE

Description:
Dimethyl 1-(2-bromoethyl)-1H-pyrazole-3,5-dicarboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of the bromoethyl group introduces a halogen, enhancing its reactivity and potential applications in organic synthesis. This compound features two ester functional groups due to the dimethyl ester moieties attached to the carboxylic acid groups at the 3 and 5 positions of the pyrazole ring. Its structure suggests potential uses in medicinal chemistry, particularly in the development of pharmaceuticals, as the pyrazole scaffold is known for various biological activities. The compound is likely to be a solid at room temperature, with properties influenced by the bromine substituent, which can affect solubility and reactivity. Safety data should be consulted for handling, as the presence of bromine may pose health risks. Overall, this compound exemplifies the complexity and versatility of heterocyclic chemistry, with implications for further research and application in various chemical fields.
Formula:C9H11BrN2O4
InChI:InChI=1/C9H11BrN2O4/c1-15-8(13)6-5-7(9(14)16-2)12(11-6)4-3-10/h5H,3-4H2,1-2H3
SMILES:COC(=O)c1cc(C(=O)OC)n(CCBr)n1
Synonyms:
  • 1H-pyrazole-3,5-dicarboxylic acid, 1-(2-bromoethyl)-, dimethyl ester
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