Dimethyl {[1-(2-ethoxy-2-oxoethyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]methyl}(isobutyl)malonate
[CAS# 94006-08-3]

Identification

• Name: Dimethyl {[1-(2-ethoxy-2-oxoethyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]methyl}(isobutyl)malonate
• Synonyms: dimethyl [[1-(2-ethoxy-2-oxoethyl)-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl]methyl](2-methylpropyl)malonate
• Molecular Formula: C₂₅H₃₇NO₈
• Molecular Weight: 479.56
• CAS Registry Number: 94006-08-3
• EINECS: 301-344-7
• SMILES: COC(=O)C(CC(C)C)(CN1CCc2cc(OC)c(OC)cc2C1CC(=O)OCC)C(=O)OC
• InChI: 1S/C25H37NO8/c1-8-34-22(27)13-19-18-12-21(31-5)20(30-4)11-17(18)9-10-26(19)15-25(14-16(2)3,23(28)32-6)24(29)33-7/h11-12,16,19H,8-10,13-15H2,1-7H3
• InChIKey: WTGSJCREXITWMD-UHFFFAOYSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 561.593°C at 760 mmHg (Cal.)
• Flash point: 293.441°C (Cal.)