CAS 1242157-24-9

2-[2-[(Acetyloxy)methyl]-3-chlorophenyl]-6-(1,1-dimethylethyl)-8-fluoro-1(2H)-phthalazinone

Description:

2-[2-[(Acetyloxy)methyl]-3-chlorophenyl]-6-(1,1-dimethylethyl)-8-fluoro-1(2H)-phthalazinone is a synthetic organic compound characterized by its complex molecular structure, which includes a phthalazinone core. This compound features multiple functional groups, including an acetyloxy group and a chlorophenyl moiety, contributing to its potential biological activity. The presence of a fluoro substituent enhances its lipophilicity, which may influence its pharmacokinetic properties. The tert-butyl group (1,1-dimethylethyl) adds steric bulk, potentially affecting the compound's interaction with biological targets. Its CAS number, 1242157-24-9, allows for precise identification in chemical databases. The compound may exhibit specific reactivity patterns due to the electron-withdrawing effects of the chlorine and fluorine atoms, which can impact its stability and reactivity in various chemical environments. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways.

Formula: C₂₁H₂₀ClFN₂O₃

InChI: InChI=1S/C21H20ClFN2O3/c1-12(26)28-11-15-16(22)6-5-7-18(15)25-20(27)19-13(10-24-25)8-14(9-17(19)23)21(2,3)4/h5-10H,11H2,1-4H3

InChI key: InChIKey=KCFRSRYJBZLJBC-UHFFFAOYSA-N

SMILES: O=C1C=2C(=CC(C(C)(C)C)=CC2F)C=NN1C3=C(COC(C)=O)C(Cl)=CC=C3

Synonyms:

• 1(2H)-Phthalazinone, 2-[2-[(acetyloxy)methyl]-3-chlorophenyl]-6-(1,1-dimethylethyl)-8-fluoro-
• 2-(6-(tert-Butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-chlorobenzyl acetate
• 2-[2-[(Acetyloxy)methyl]-3-chlorophenyl]-6-(1,1-dimethylethyl)-8-fluoro-1(2H)-phthalazinone