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CAS 1242336-58-8

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2-(1,1-Dimethylethyl)-2,3-dihydro-3-hydroxy-4-(trifluoromethyl)-1H-isoindol-1-one

Description:
2-(1,1-Dimethylethyl)-2,3-dihydro-3-hydroxy-4-(trifluoromethyl)-1H-isoindol-1-one is a chemical compound characterized by its complex structure, which includes an isoindole core. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, enhancing its hydrophobic properties. The presence of a trifluoromethyl group introduces significant electronegativity, affecting the compound's reactivity and solubility in various solvents. The hydroxy group provides potential for hydrogen bonding, influencing its interactions in biological systems or chemical reactions. This compound may exhibit interesting pharmacological properties due to its unique structural features, making it a candidate for further research in medicinal chemistry. Its CAS number, 1242336-58-8, allows for precise identification in chemical databases, facilitating studies related to its synthesis, applications, and safety profiles. Overall, the combination of functional groups and structural elements in this compound suggests potential utility in various chemical and pharmaceutical applications.
Formula:C13H14F3NO2
InChI:InChI=1S/C13H14F3NO2/c1-12(2,3)17-10(18)7-5-4-6-8(13(14,15)16)9(7)11(17)19/h4-6,11,19H,1-3H3
InChI key:InChIKey=QBZSZZYWZDKTGX-UHFFFAOYSA-N
SMILES:C(C)(C)(C)N1C(O)C=2C(C1=O)=CC=CC2C(F)(F)F
Synonyms:
  • 2-(1,1-Dimethylethyl)-2,3-dihydro-3-hydroxy-4-(trifluoromethyl)-1H-isoindol-1-one
  • 1H-Isoindol-1-one, 2-(1,1-dimethylethyl)-2,3-dihydro-3-hydroxy-4-(trifluoromethyl)-
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