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CAS 175204-40-7

:

5-(Chloromethyl)-3-[4-(1,1-dimethylethyl)phenyl]-1,2,4-oxadiazole

Description:
5-(Chloromethyl)-3-[4-(1,1-dimethylethyl)phenyl]-1,2,4-oxadiazole is a chemical compound characterized by its oxadiazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms and three carbon atoms. The presence of a chloromethyl group enhances its reactivity, making it useful in various synthetic applications. The compound also features a bulky tert-butyl group attached to a phenyl ring, which can influence its solubility and steric properties. This structure may impart unique electronic characteristics, potentially making it suitable for applications in pharmaceuticals, agrochemicals, or materials science. The compound's molecular interactions can be influenced by the presence of the chloromethyl and tert-butyl groups, affecting its behavior in different chemical environments. Additionally, the oxadiazole moiety is known for its potential biological activity, which may include antimicrobial or anti-inflammatory properties. Overall, this compound's unique structural features contribute to its potential utility in various chemical and industrial applications.
Formula:C13H15ClN2O
InChI:InChI=1S/C13H15ClN2O/c1-13(2,3)10-6-4-9(5-7-10)12-15-11(8-14)17-16-12/h4-7H,8H2,1-3H3
InChI key:InChIKey=ZLQQUIHBQATFOP-UHFFFAOYSA-N
SMILES:C(Cl)C1=NC(=NO1)C2=CC=C(C(C)(C)C)C=C2
Synonyms:
  • 1,2,4-Oxadiazole, 5-(chloromethyl)-3-[4-(1,1-dimethylethyl)phenyl]-
  • 3-(4-tert-Butylphenyl)-5-chloromethyl-1,2,4-oxadiazole
  • 5-(Chloromethyl)-3-[4-(1,1-dimethylethyl)phenyl]-1,2,4-oxadiazole
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