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CS-W001157 4
Total: USD 88.00

Bicyclo[3.1.1]Heptan-2-one

  • CAS No. 17159-87-4

  • Cat. No. CS-0448350
  • Molecule weight110.15
  • Purity≥98%
  • MDL No.None

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

Bicyclo[3.1.1]Heptan-2-one|CS-0448350

Structure of 17159-87-4

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General Information

  • CAS No. 17159-87-4
  • Cat. No. CS-0448350
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O
  • Molecular Weight 110.15
  • Synonym(s) bicyclo[3.1.1]heptan-4-one
  • SMILES C1CC(=O)C2CC1C2

Synthesis

  • Route1
    • (4-Oxocyclohexyl)methyl 4-methylbenzenesulfonate|CS-0093873
      17159-83-0
    • ~66%
    • Bicyclo[3.1.1]Heptan-2-one|CS-0448350
      17159-87-4

    References

    • Nicolaou; Magolda; Claremon Journal of the American Chemical Society, 1980 , vol. 102, # 4 p. 1404 - 1409
  • Route2
    • Bicyclo[2.1.1]hexan-2-one|CS-0309615
      5164-64-7
    • ~%
    • Bicyclo[3.1.1]Heptan-2-one|CS-0448350
      17159-87-4

    References

    • Della, Ernest W.; Pigou, Paul E. Australian Journal of Chemistry, 1983 , vol. 36, # 11 p. 2261 - 2268
  • Route3
    • null|null
      26934-56-5
    • ~%
    • Bicyclo[3.1.1]Heptan-2-one|CS-0448350
      17159-87-4

    References

    • Nicolaou; Magolda; Claremon Journal of the American Chemical Society, 1980 , vol. 102, # 4 p. 1404 - 1409

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H225
Precautionary Statements : P210-P243-P273-P403

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.3755
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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