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CS-W001157 4
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Methyl 2-benzoyl-2-azabicyclo[2.1.1]Hexane-1-carboxylate

  • CAS No. 77422-38-9

  • Cat. No. CS-0466409
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD23099515

*For research and further manufacturing use only, not for direct human use.

Methyl 2-benzoyl-2-azabicyclo[2.1.1]Hexane-1-carboxylate|CS-0466409

Structure of 77422-38-9

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General Information

  • CAS No. 77422-38-9
  • Cat. No. CS-0466409
  • Purity ≥98%
  • MDL No. MFCD23099515
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅NO₃
  • Molecular Weight None
  • Synonym(s) methyl N-benzoyl-1-azabictclohexane-5-carboxylate
  • SMILES COC(=O)C12CC(C1)CN2C(=O)C3=CC=CC=C3

Synthesis

  • Route1
    • Methyl 2-(N-allylbenzamido)acrylate|CS-0628725
      77422-37-8
    • ~87%
    • In-stock
      Methyl 2-benzoyl-2-azabicyclo[2.1.1]Hexane-1-carboxylate|CS-0466409
      77422-38-9

    References

    • Varnes, Jeffrey G.; Lehr, G. Scott; Moore, Gary L.; Hulsizer, James M.; Albert, Jeffrey S. Tetrahedron Letters, 2010 , vol. 51, # 29 p. 3756 - 3758
  • Route2
    • Methyl 2-benzamido-3-chloropropanoate|CS-0332829
      33646-32-1
    • ~%
    • In-stock
      Methyl 2-benzoyl-2-azabicyclo[2.1.1]Hexane-1-carboxylate|CS-0466409
      77422-38-9

    References

    • Hughes, Philip; Clardy, Jon Journal of Organic Chemistry, 1988 , vol. 53, # 20 p. 4793 - 4797

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   1.4642
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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