8-(2,3-Dihydro-1,4-Benzodioxin-2-Ylmethyl)-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One
[CAS 1054-88-2]

Identification

• Name: 8-(2,3-Dihydro-1,4-Benzodioxin-2-Ylmethyl)-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One
• Synonyms: 1,3,8-Trianaspiro(4.5)Decane-4-One,8-(1,4-Benzodioxan-2-Ylmethyl)-1-Phenyl-; 8-(1,4-Benzodioxan-2-Ylmethyl)-1-Phenyl-1,3,8-Trianaspiro(4,5)Decane-4-One; Espiroxatrina [Inn-Spanish]
• Molecular Formula: C₂₂H₂₅N₃O₃
• Molecular Weight: 379.46
• CAS Registry Number: 1054-88-2
• SMILES: C1=CC=CC=C1N2C5(C(NC2)=O)CCN(CC4OC3=C(C=CC=C3)OC4)CC5
• InChI: 1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
• InChIKey: JVGBTTIJPBFLTE-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 602.842°C at 760 mmHg (Cal.)
• Flash point: 318.387°C (Cal.)
• solubility: Soluble to 10 mM in DMSO

References

• (1): Y. Liu and W. Bao. Copper-catalyzed tandem process: an efficient approach to 2-substituted-1,4-benzodioxanes, Org. Biomol. Chem., 2010