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CAS 754214-36-3

:

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

Description:
2-(Chloromethyl)-5-[4-(1,1-dimethylethyl)phenyl]-1,3,4-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. This compound features a chloromethyl group, which enhances its reactivity and potential for further chemical modifications. The presence of a tert-butyl group (1,1-dimethylethyl) attached to a phenyl ring contributes to its hydrophobic characteristics and steric bulk, influencing its solubility and interaction with biological systems. The oxadiazole moiety is known for its applications in pharmaceuticals and materials science, often exhibiting properties such as fluorescence and antimicrobial activity. The compound's structure suggests potential utility in organic synthesis and as a building block for more complex molecules. Its CAS number, 754214-36-3, allows for easy identification in chemical databases, facilitating research and development in various fields, including medicinal chemistry and agrochemicals.
Formula:C13H15ClN2O
InChI:InChI=1S/C13H15ClN2O/c1-13(2,3)10-6-4-9(5-7-10)12-16-15-11(8-14)17-12/h4-7H,8H2,1-3H3
InChI key:InChIKey=LKDRJSXAQNUYMR-UHFFFAOYSA-N
SMILES:C(Cl)C=1OC(=NN1)C2=CC=C(C(C)(C)C)C=C2
Synonyms:
  • 2-[4-(tert-Butyl)phenyl]-5-(chloromethyl)-1,3,4-oxadiazole
  • 2-(Chloromethyl)-5-[4-(1,1-dimethylethyl)phenyl]-1,3,4-oxadiazole
  • 1,3,4-Oxadiazole, 2-(chloromethyl)-5-[4-(1,1-dimethylethyl)phenyl]-
  • 2-(4-tert-Butylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
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