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CAS 878744-22-0

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1H-Pyrazole-3-carboxylic acid, 5-(bromomethyl)-1-methyl-, methyl ester

Description:
1H-Pyrazole-3-carboxylic acid, 5-(bromomethyl)-1-methyl-, methyl ester, identified by CAS number 878744-22-0, is a chemical compound that features a pyrazole ring, which is a five-membered aromatic heterocycle containing two nitrogen atoms. This compound is characterized by the presence of a carboxylic acid functional group and a methyl ester, indicating it can undergo hydrolysis to release the corresponding acid. The bromomethyl group at the 5-position of the pyrazole ring introduces a halogen substituent, which can enhance reactivity and facilitate further chemical modifications. The methyl group at the 1-position contributes to the overall hydrophobic character of the molecule. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its solubility, stability, and reactivity can vary depending on the solvent and conditions, and it is essential to handle it with care due to the presence of the bromine atom, which can impart toxicity. Overall, this compound's unique structure and functional groups make it a valuable subject for further study in organic and medicinal chemistry.
Formula:C7H9BrN2O2
InChI:InChI=1S/C7H9BrN2O2/c1-10-5(4-8)3-6(9-10)7(11)12-2/h3H,4H2,1-2H3
InChI key:InChIKey=XPUITOYPHIBAKN-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=C(CBr)N(C)N1
Synonyms:
  • 1H-Pyrazole-3-carboxylic acid, 5-(bromomethyl)-1-methyl-, methyl ester
  • Methyl 5-(bromomethyl)-1-methyl-1H-pyrazole-3-carboxylate
  • 5-Bromomethyl-1-methyl-1H-pyrazole-3-carboxylicacidmethylester
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