Methyl 3-(Benzoyloxy)-7-Methoxy-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate

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Properties Simple | Detailed

Formula C18H23NO5
IUPAC Name methyl (1s,3r,4r,5r,6r,8r)-3-benzoyloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 333.379 g·mol−1
Heat of Formation -771.8 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 400.01 Å 3
Surface Area 339.17 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
Synonyms
  • ( -)-7alpha-methoxypseudococaine
  • (1r,2r,3r,5s,7r)-3-(benzoyloxy)-7-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • (1r,2r,3r,5s,7r)-7-methoxy-8-methyl-3-(oxo-phenylmethoxy)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-7-methoxy-8-methyl-, methyl ester, (1r,2r,3r,5s,7r)-rel-
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-7-methoxy-8-methyl-, methyl ester, (2-endo,3-exo,7-endo)-( -)-
  • methyl (1r,2r,3r,5s,7r)-3-(benzoyloxy)-7-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
  • methyl (1r,2r,3r,5s,7r)-7-methoxy-8-methyl-3-phenylcarbonyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate
  • methyl 3-benzoyloxy-7-methoxy-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate
  • methyl bmaoc
CAS Number(s)
  • 152231-27-1
InChIKey VHNFNHMRSQZOLD-OTJKEOIZSA-N
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