New synthesis of a late-stage tetracyclic key intermediate of lumateperone

Mátyás Milen, Bálint Nyulasi, Tamás Nagy, Gyula Simig and Balázs Volk
Beilstein J. Org. Chem. 2022, 18, 653–659. https://doi.org/10.3762/bjoc.18.66

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C12H8F6N2O2
Molecular Weight 326.20 g/mol
Exact Mass 326.0490 Da
InChI
InChI=1S/C12H8F6N2O2/c13-11(14,15)9(21)19-5-6-20(10(22)12(16,17)18)8-4-2-1-3-7(8)19/h1-4H,5-6H2
InChIKey
IKTSDEICPNRVNV-UHFFFAOYSA-N
SMILES
C1=CC2=C(C=C1)N(CCN2C(=O)C(F)(F)F)C(=O)C(F)(F)F
Number of Atoms 30
Number of H-Bond Acceptors 4
Number of H-Bond Donors 0
Atoms in the Largest π-System 12
XLogP 1.4
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