3-Methylbutyl 8-(2-hydroxy-3-{4-[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]-1-piperazinyl}propoxy)-2,3-dihydro-1,4-benzodioxine-5-carboxylate
[CAS# 85851-95-2]

Identification

• Name: 3-Methylbutyl 8-(2-hydroxy-3-{4-[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]-1-piperazinyl}propoxy)-2,3-dihydro-1,4-benzodioxine-5-carboxylate
• Synonyms: 3-Methylbutyl 2,3-dihydro-8-(2-hydroxy-3-(4-(3',4',5'-trimethoxycinnamoyl)-1-piperazinyl)propoxy)-1,4-benzodioxin-5-carboxylate
• Molecular Formula: C₃₃H₄₄N₂O₁₀
• Molecular Weight: 628.71
• CAS Registry Number: 85851-95-2
• EINECS: 288-656-6
• SMILES: O=C(\C=C\c1cc(OC)c(OC)c(OC)c1)N2CCN(CC2)CC(O)COc3ccc(c4OCCOc34)C(=O)OCCC(C)C
• InChI: 1S/C33H44N2O10/c1-22(2)10-15-44-33(38)25-7-8-26(32-30(25)42-16-17-43-32)45-21-24(36)20-34-11-13-35(14-12-34)29(37)9-6-23-18-27(39-3)31(41-5)28(19-23)40-4/h6-9,18-19,22,24,36H,10-17,20-21H2,1-5H3/b9-6+
• InChIKey: BYACLYDBJDQHHY-RMKNXTFCSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 810.625°C at 760 mmHg (Cal.)
• Flash point: 444.05°C (Cal.)