(1-((2,3-Dihydro-1,4-benzodioxin-2-yl)methyl)-4-piperidinyl)(4-methoxyphenyl)-Methanone (E)-2-butenedioate
[CAS# 76362-13-5]

Identification

• Name: (1-((2,3-Dihydro-1,4-benzodioxin-2-yl)methyl)-4-piperidinyl)(4-methoxyphenyl)-Methanone (E)-2-butenedioate
• Synonyms: But-2-Enedioic Acid; [1-(2,3-Dihydro-1,4-Benzodioxin-2-Ylmethyl)-4-Piperidyl]-(4-Methoxyphenyl)Methanone; But-2-Enedioic Acid; [1-(2,3-Dihydro-1,4-Benzodioxin-2-Ylmethyl)-4-Piperidinyl]-(4-Methoxyphenyl)Methanone; Methanone, (1-((2,3-Dihydro-1,4-Benzodioxin-2-Yl)Methyl)-4-Piperidinyl)(4-Methoxyphenyl)-, (E)-2-Butenedioate
• Molecular Formula: C₂₆H₂₉NO₈
• Molecular Weight: 483.52
• CAS Registry Number: 76362-13-5
• SMILES: C4=C3OC(CN2CCC(C(=O)C1=CC=C(OC)C=C1)CC2)COC3=CC=C4.O=C(O)\C=C\C(=O)O
• InChI: 1S/C22H25NO4.C4H4O4/c1-25-18-8-6-16(7-9-18)22(24)17-10-12-23(13-11-17)14-19-15-26-20-4-2-3-5-21(20)27-19;5-3(6)1-2-4(7)8/h2-9,17,19H,10-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: YVCJQVSZVQRMQV-WLHGVMLRSA-N

Properties

• Boiling point: 520.8°C at 760 mmHg (Cal.)
• Flash point: 268.7°C (Cal.)