CAS 1097920-65-4

1-(7-Chloro-3,4-dihydro-6-nitro-2(1H)-isoquinolinyl)-2,2,2-trifluoroethanone

Description:

1-(7-Chloro-3,4-dihydro-6-nitro-2(1H)-isoquinolinyl)-2,2,2-trifluoroethanone is a synthetic organic compound characterized by its complex structure, which includes an isoquinoline moiety and a trifluoroethanone functional group. The presence of a chloro substituent and a nitro group contributes to its unique chemical reactivity and potential biological activity. This compound is likely to exhibit moderate to high lipophilicity due to the trifluoromethyl group, which can influence its solubility and permeability in biological systems. The nitro group may also impart specific electronic properties, making it a candidate for various chemical reactions, including reduction and nucleophilic substitution. Its potential applications could span across medicinal chemistry, particularly in the development of pharmaceuticals, given the isoquinoline framework's prevalence in bioactive compounds. However, detailed studies on its toxicity, stability, and specific interactions are essential for understanding its full chemical profile and potential uses in research or therapeutic contexts.

Formula: C₁₁H₈ClF₃N₂O₃

InChI: InChI=1S/C11H8ClF3N2O3/c12-8-3-7-5-16(10(18)11(13,14)15)2-1-6(7)4-9(8)17(19)20/h3-4H,1-2,5H2

InChI key: InChIKey=WIYRBMFDSXLCCU-UHFFFAOYSA-N

SMILES: N(=O)(=O)C=1C=C2C(CN(C(C(F)(F)F)=O)CC2)=CC1Cl

Synonyms:

• 1-(7-Chloro-6-nitro-1,2,3,4-tetrahydroisoquinolin-2-yl)-2,2,2-trifluoroethan-1-one
• 1-(7-Chloro-6-nitro-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethan-1-one
• Ethanone, 1-(7-chloro-3,4-dihydro-6-nitro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-
• 1-(7-Chloro-6-nitro-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone
• 1-(7-Chloro-3,4-dihydro-6-nitro-2(1H)-isoquinolinyl)-2,2,2-trifluoroethanone