Cas no 537-26-8 (8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-, 3-benzoate, (3-exo)-)

8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, 3-benzoate, (3-exo)- is a bicyclic organic compound featuring a benzoate ester functional group. Its rigid azabicyclic structure enhances stereochemical stability, making it valuable for applications in asymmetric synthesis and medicinal chemistry. The exo-configuration of the hydroxyl group ensures consistent reactivity, while the benzoate moiety offers versatility for further derivatization. This compound is particularly useful as an intermediate in the synthesis of pharmacologically active molecules, including tropane alkaloids. Its well-defined stereochemistry and functional group compatibility make it a reliable building block for researchers developing chiral ligands, catalysts, or bioactive compounds. The methyl substitution at the 8-position further modulates its steric and electronic properties.
8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-, 3-benzoate, (3-exo)- structure
537-26-8 structure
Product Name:8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-, 3-benzoate, (3-exo)-
CAS No:537-26-8
MF:C15H19NO2
MW:245.31686425209
CID:369246
PubChem ID:637578
Update Time:2025-06-08

8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-, 3-benzoate, (3-exo)- Chemical and Physical Properties

Names and Identifiers

    • 8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-, 3-benzoate, (3-exo)-
    • 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl benzoate
    • Tropacocaine
    • &#968
    • 1α-H,5α-H-Tropan-3&#946
    • 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, benzoate (ester), exo-
    • 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, benzoate, exo-
    • Benzilate of pseudotropanol
    • Benzoylpseudotropeine
    • Benzoylpseudotropine
    • Benzoyl-psi-tropeine
    • exo-8-Methyl-8-azabicyclo(3.2.1)-octan-3-ol benzoate
    • o-Benzoyltropine
    • -ol, benzoate
    • Pseudotropanol benzilate
    • Pseudotropine benzoate
    • psi-Tropine benzoate
    • Tropacaine
    • Tropacocain
    • -Tropine b
    • DTXSID301315378
    • CHEMBL1947051
    • Pseudotropine, benzoate (ester)
    • 19145-60-9
    • 8-azabicyclo[3.2.1]octan-3-ol, 8-methyl-, benzoate (ester), (3-exo)-
    • 3.alpha.-Benzoyloxytropane
    • EINECS 208-662-4
    • 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzoate (ester)
    • 5-21-01-00226 (Beilstein Handbook Reference)
    • (3-EXO)-8-METHYL-8-AZABICYCLO(3.2.1)OCTAN-3-OL 3-BENZOATE
    • 3alpha-benzoyloxytropane
    • BDBM50419747
    • AKOS040740353
    • 537-26-8
    • TROPACOCAINE [WHO-DD]
    • CHEMBL1947052
    • benzoyl tropine
    • (1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate
    • Pseudotropin
    • XQJMXPAEFMWDOZ-WDNDVIMCSA-N
    • 1I92X32F6H
    • Q7845588
    • BDBM50419731
    • 8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, benzoate (ester), endo-
    • SCHEMBL1103723
    • Benzoyltropeine
    • Tropacocaine (hydrochloride)
    • 3beta-benzoyloxytropane
    • BRN 0084408
    • DTXSID601016911
    • TROPACOCAINE [MI]
    • exo-8-Methyl-8-azabicyclo(3.2.1)octan-3-ol, benzoate (ester)
    • [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate
    • UNII-1I92X32F6H
    • Inchi： 1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14?
    • InChI Key： XQJMXPAEFMWDOZ-PBWFPOADSA-N
    • SMILES： O(C(C1C=CC=CC=1)=O)C1C[C@@H]2CC[C@H](C1)N2C

Computed Properties

  • Exact Mass: 245.14167
  • Monoisotopic Mass: 245.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 298
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.0426
  • Melting Point: 49°
  • Boiling Point: 388.28°C (rough estimate)
  • Refractive Index: 1.5080 (estimate)
  • PSA: 29.54
  • pka: 4.32(at 15℃)

8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-, 3-benzoate, (3-exo)- Security Information

  • Toxicity：MLD i.v. in rats: 15-20 mg/kg, Hirschfelder, Physiol. Rev. 12, 262 (1932)

8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-, 3-benzoate, (3-exo)- Pricemore >>

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