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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

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Chemical structure C<sub>10</sub>H<sub>9</sub>F<sub>3</sub>N<sub>2</sub>O

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Extracted from

Scheme 5 Scheme 6

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₀H₉F₃N₂O
Molecular Weight	230.19 g/mol
Exact Mass	230.0667 Da
InChI	InChI=1S/C10H9F3N2O/c11-10(12,13)9(16)15-6-5-14-7-3-1-2-4-8(7)15/h1-4,14H,5-6H2
InChIKey	CZHGSBOARJHRJS-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1)N(CCN2)C(=O)C(F)(F)F
Number of Atoms	25
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	10
XLogP	1.0

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