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CAS 372941-54-3

:

1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile

Description:
1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile, with the CAS number 372941-54-3, is a synthetic organic compound characterized by its complex structure, which includes a dimethylamino group, a fluorophenyl moiety, and an isobenzofurancarbonitrile framework. This compound typically exhibits properties such as moderate solubility in organic solvents and potential bioactivity, making it of interest in pharmaceutical research. The presence of the dimethylamino group may contribute to its basicity and influence its interaction with biological targets. The fluorine atom in the phenyl ring can enhance lipophilicity and metabolic stability, which are important factors in drug design. Additionally, the isobenzofurancarbonitrile structure may impart unique reactivity and selectivity in chemical reactions. Overall, this compound's characteristics suggest potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. However, specific physical and chemical properties such as melting point, boiling point, and spectral data would require empirical determination or literature reference for precise values.
Formula:C20H19FN2O2
InChI:InChI=1S/C20H19FN2O2/c1-23(2)11-3-10-20(15-5-7-16(21)8-6-15)18-9-4-14(13-22)12-17(18)19(24)25-20/h4-9,12H,3,10-11H2,1-2H3
InChI key:InChIKey=ASGSMDPSNUXWMB-UHFFFAOYSA-N
SMILES:C(CCN(C)C)C1(C=2C(C(=O)O1)=CC(C#N)=CC2)C3=CC=C(F)C=C3
Synonyms:
  • 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-
  • 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-2-benzofuran-5-carbonitrile
  • 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile
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