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CAS 25977-19-9

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1,2,4-Oxadiazole-5-carboxylic acid, 3-(chloromethyl)-, ethyl ester

Description:
1,2,4-Oxadiazole-5-carboxylic acid, 3-(chloromethyl)-, ethyl ester is a chemical compound characterized by its oxadiazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms and three carbon atoms. This compound features a carboxylic acid functional group and an ethyl ester moiety, contributing to its reactivity and solubility properties. The presence of a chloromethyl group enhances its potential for further chemical modifications, making it a versatile intermediate in organic synthesis. Typically, compounds of this nature exhibit biological activity, which may include antimicrobial or anti-inflammatory properties, although specific biological data would depend on empirical studies. The molecular structure allows for various interactions, including hydrogen bonding and dipole-dipole interactions, influencing its physical properties such as melting point, boiling point, and solubility in different solvents. As with many heterocyclic compounds, it may also exhibit unique spectroscopic characteristics, making it identifiable through techniques like NMR and IR spectroscopy. Safety and handling precautions should be observed due to the presence of chlorine and potential reactivity of the functional groups.
Formula:C6H7ClN2O3
InChI:InChI=1S/C6H7ClN2O3/c1-2-11-6(10)5-8-4(3-7)9-12-5/h2-3H2,1H3
InChI key:InChIKey=JIKCEFWHWIEUHQ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=NC(CCl)=NO1
Synonyms:
  • 1,2,4-Oxadiazole-5-carboxylic acid, 3-(chloromethyl)-, ethyl ester
  • Ethyl 3-(chloromethyl)-1,2,4-oxadiazole-5-carboxylate
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