3-[[6-(2-Dimethylaminoethyl)-4-Methoxy-1,3-Benzodioxol-5-Yl]Methylidene]-6,7-Dimethoxyisoindol-1-One
[CAS# 38952-67-9]

Identification

• Name: 3-[[6-(2-Dimethylaminoethyl)-4-Methoxy-1,3-Benzodioxol-5-Yl]Methylidene]-6,7-Dimethoxyisoindol-1-One
• Synonyms: (3Z)-3-[[6-(2-Dimethylaminoethyl)-4-Methoxy-1,3-Benzodioxol-5-Yl]Methylidene]-6,7-Dimethoxyisoindol-1-One; 3-[[6-(2-Dimethylaminoethyl)-4-Methoxy-1,3-Benzodioxol-5-Yl]Methylene]-6,7-Dimethoxy-Isoindolin-1-One; (3Z)-3-[[6-(2-Dimethylaminoethyl)-4-Methoxy-1,3-Benzodioxol-5-Yl]Methylene]-6,7-Dimethoxy-Isoindolin-1-One
• Molecular Formula: C₂₃H₂₆N₂O₆
• Molecular Weight: 426.47
• CAS Registry Number: 38952-67-9
• SMILES: C1=CC(=C(OC)C2=C1\C(NC2=O)=C\C4=C(C=C3OCOC3=C4OC)CCN(C)C)OC
• InChI: 1S/C23H26N2O6/c1-25(2)9-8-13-10-18-22(31-12-30-18)20(28-4)15(13)11-16-14-6-7-17(27-3)21(29-5)19(14)23(26)24-16/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,26)/b16-11-
• InChIKey: FNVOXTXQQPJYRS-WJDWOHSUSA-N

Properties

• Density: 1.273g/cm³ (Cal.)
• Boiling point: 646.164°C at 760 mmHg (Cal.)
• Flash point: 344.587°C (Cal.)

References

• (1): Lamblin Marc. A concise first total synthesis of narceine imide, Organic & Biomolecular Chemistry, 2007