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 C8H10N2
Molecular Weight 134.18 g/mol
Exact Mass 134.0844 Da
InChI
InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9-10H,5-6H2
InChIKey
HORKYAIEVBUXGM-UHFFFAOYSA-N
SMILES
C1=CC2=C(C=C1)NCCN2
Number of Atoms 20
Number of H-Bond Acceptors 2
Number of H-Bond Donors 2
Atoms in the Largest π-System 8
XLogP 0.5
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