Methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

CAS Registry Number®

130342-80-2
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CAS Name

Methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Molecular Formula

C16H20ClNO2

Molecular Mass

293.79

Cite this Page

Methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=130342-80-2 (retrieved 2024-03-29) (CAS RN: 130342-80-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    118.5-119.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1

InChIKey

InChIKey=ZEOHVQFWFVMPGM-YJNKXOJESA-N

SMILES

C(OC)(=O)[C@H]1[C@H](C[C@]2(N(C)[C@@]1(CC2)[H])[H])C3=CC=C(Cl)C=C3

Canonical SMILES

O=C(OC)C1C(C2=CC=C(Cl)C=C2)CC3N(C)C1CC3

Other Names for this Substance

  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-chlorophenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-chlorophenyl)-8-methyl-, methyl ester, [1R-(exo,exo)]-
  • Methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
  • RTI-COC 31
  • O 371

Deleted or Replaced CAS Registry Numbers

185348-24-7

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