Methyl 3-hydroxy-22-oxokopsan-1-carboxylate
[CAS# 559-48-8]

Identification

• Name: Methyl 3-hydroxy-22-oxokopsan-1-carboxylate
• Molecular Formula: C₂₂H₂₄N₂O₄
• Molecular Weight: 380.44
• CAS Registry Number: 559-48-8
• SMILES: COC(=O)N1C2=CC=CC=C2[C@@]34[C@]15CC[C@]67[C@@H]3N(CCC6)C[C@@H]4C(=O)[C@@]5(C7)O
• InChI: 1S/C22H24N2O4/c1-28-18(26)24-15-6-3-2-5-13(15)22-14-11-23-10-4-7-19(17(22)23)8-9-21(22,24)20(27,12-19)16(14)25/h2-3,5-6,14,17,27H,4,7-12H2,1H3/t14-,17+,19-,20-,21-,22+/m1/s1
• InChIKey: YROYAGSZNDUMIF-MQVQQYNVSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 579.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 304.0±30.1°C (Cal.)

References

• (1): Toh-Seok Kam, Tuck-Meng Lim and Guan-Huat Tan. Electrochemical oxidation of aspidofractinine-type alkaloids: Formation of kopsine, kopsidine, kopsinitarine and bisindole derivatives, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 1594.