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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>14</sub>H<sub>17</sub>BrN<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 2

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₄H₁₇BrN₂O₂
Molecular Weight	325.20 g/mol
Exact Mass	324.0473 Da
InChI	InChI=1S/C14H17BrN2O2/c1-2-19-14(18)17-7-6-12-10(8-17)9-4-3-5-11(15)13(9)16-12/h3-5,10,12,16H,2,6-8H2,1H3/t10-,12-/m0/s1
InChIKey	YKRFDXKYULKKPS-JQWIXIFHSA-N
SMILES	CCOC(=O)N1CC[C@@]2([H])[C@@]([H])(C1)C3=CC=CC(=C3N2)Br
Number of Atoms	36
Number of H-Bond Acceptors	4
Number of H-Bond Donors	1
Atoms in the Largest π-System	7
XLogP	1.6

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