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CAS 39807-19-7

:

3-(2,4-Dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

Description:
3-(2,4-Dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one, with the CAS number 39807-19-7, is a chemical compound characterized by its oxadiazole core, which is a five-membered heterocyclic structure containing two nitrogen atoms. This compound features a dichlorophenol moiety, contributing to its potential biological activity, particularly in herbicidal or fungicidal applications. The presence of the bulky tert-butyl group enhances its lipophilicity, which may influence its solubility and permeability in biological systems. The hydroxyl group on the phenyl ring can participate in hydrogen bonding, potentially affecting its reactivity and interaction with biological targets. Overall, this compound's unique structural features suggest it may exhibit specific pharmacological properties, making it of interest in agricultural chemistry and medicinal research. However, detailed studies would be necessary to fully elucidate its biological activity and potential applications.
Formula:C12H12Cl2N2O3
InChI:InChI=1S/C12H12Cl2N2O3/c1-12(2,3)10-15-16(11(18)19-10)8-5-9(17)7(14)4-6(8)13/h4-5,17H,1-3H3
InChI key:InChIKey=YQENSQLEOLRRBD-UHFFFAOYSA-N
SMILES:O=C1N(N=C(C(C)(C)C)O1)C2=C(Cl)C=C(Cl)C(O)=C2
Synonyms:
  • 1,3,4-Oxadiazol-2(3H)-one, 3-(2,4-dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-
  • 2-tert-Butyl-4-(2,4-dichloro-5-hydroxyphenyl]-Δ<sup>2</sup>-1,3,4-oxadiazolin-5-one
  • 5-tert-butyl-3-(2,4-dichloro-5-hydroxyphenyl)-1,3,4-oxadiazol-2(3H)-one
  • 3-(2,4-Dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
  • 2-tert-Butyl-4-(2,4-dichloro-5-hydroxyphenyl]-Δ2-1,3,4-oxadiazolin-5-one
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