Methyl (1R,2S,3S,5S)-3-(4-Fluorophenyl)-8-[(E)-3-Iodoprop-2-Enyl]-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
[CAS# 180468-34-2]

Identification

• Name: Methyl (1R,2S,3S,5S)-3-(4-Fluorophenyl)-8-[(E)-3-Iodoprop-2-Enyl]-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
• Synonyms: (1R,2S,3S,5S)-3-(4-Fluorophenyl)-8-[(E)-3-Iodoprop-2-Enyl]-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester; 2Beta-Carbomethoxy-3Beta-(4-Fluorophenyl)-N-(3-Iodo-E-Allyl)Nortropane; 8-Azabicyclo(3.2.1)Octane-2-Carboxylic Acid, 3-(4-Fluorophenyl)-8-((2E)-3-Iodo-2-Propenyl)-, Methyl Ester, (1R,2S,3S,5S)-
• Molecular Formula: C₁₈H₂₁FINO₂
• Molecular Weight: 429.27
• CAS Registry Number: 180468-34-2
• SMILES: [C@H]12[C@H]([C@H](C[C@H](CC1)N2C\C=C\I)C3=CC=C(C=C3)F)C(=O)OC
• InChI: 1S/C18H21FINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14-,15+,16+,17-/m0/s1
• InChIKey: GTQLIPQFXVKRKJ-UNSMHXHVSA-N

Properties

• Density: 1.498g/cm³ (Cal.)
• Boiling point: 440.713°C at 760 mmHg (Cal.)
• Flash point: 220.336°C (Cal.)