2,3-Dihydro-1-oxo Asenapine

• CAT Number: R012734
• CAS Number: 934996-79-9
• Molecular Formula: C₁₇H₁₂ClNO₂
• Molecular Weight: 297.74
• Purity: ≥95%
• Storage: -20°C
• IUPAC Name: 9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),7(12),8,10,14,16-heptaen-3-one
• InChI: InChI=1S/C17H12ClNO2/c1-19-9-13-12-8-10(18)6-7-15(12)21-14-5-3-2-4-11(14)16(13)17(19)20/h2-8H,9H2,1H3
• InChIKey: UEFINICFHHBHJQ-UHFFFAOYSA-N
• SMILES: CN1CC2=C(C1=O)C3=CC=CC=C3OC4=C2C=C(C=C4)Cl

2,3-Dihydro-1-oxo Asenapine(CAS: 934996-79-9) is an Asenapine intermediate.

Reference

[1]. Vader, J., Kaspersen, F., Sperling, E., Schlachter, I., Terpstra, A., Hilberink, P. and Wagenaars, G., 1994.
The syntheses of radiolabelled org 5222 and its main metabolite org 30526.
Abstract: The syntheses of trans-5-chloro-2, 3, 3a-12b-tetrahydro-2-methyl-1H-dibenz [2, 3:6, 7] oxepino [4, 5-c]pyrrole (Org 5222), a potential antipsychotic compound, labelled with 3H, 14C and 36C1 and trans-5-chloro-2, 3, 3a, 12b-tetrahydro-1H-dibenz [2, 3:6, 7]-oxepino [4, 5-c] pyrrole (Org 30526) labelled with 3H are described. 3H-labelled Org 5222 of low specific activity was prepared by a base catalyzed exchange with tritiated water of an amide precursor, 3H-labelled Org 5222 with a high specific activity by a catalytic reductive dehalogenation. 3H-labelled Org 30526 was prepared both by demethylation of 3H-Org 5222 and by catalytic reductive iodination of 11-iodo-Org 30526. 14C-labelled Org 5222 was synthesized in 6 steps using 14C-sarcosine as starting material. 36C1-labelled Org 5222 was prepared by diazotation reaction in the presence of H36C1.
Journal of Labelled Compounds and Radiopharmaceuticals, 34(9), pp.845-869.