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CS-W001157 4
Total: USD 88.00

(1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

  • CAS No. 1845-25-6

  • Cat. No. CS-W017794
  • Purity≥97%
  • MDL No.MFCD00040556

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

(1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one|CS-W017794

Structure of 1845-25-6

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General Information

  • CAS No. 1845-25-6
  • Cat. No. CS-W017794
  • Purity ≥97%
  • MDL No. MFCD00040556
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆O₂
  • Molecular Weight 168.23
  • Synonym(s) (2S)-2-hydroxy-2,6,6-trimethyl-norpinan-3-one
  • SMILES O=C1[C@@](C)(O)[C@](C2)([H])C(C)(C)[C@]2([H])C1

Synthesis

  • Route1
    • null|null
      7785-26-4
    • ~53%
    • (1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one|CS-W017794
      1845-25-6

    References

    • Hobuss, Dennis; Hasenjaeger, Jens; Driessen-Hoelscher, Birgit; Baro, Angelika; Axenov, Kirill V.; Laschat, Sabine; Frey, Wolfgang Inorganica Chimica Acta, 2011 , vol. 374, # 1 p. 94 - 103
  • Route2
    • null|null
      7785-26-4
    • ~51%
    • null|null
      74281-22-4
    • (1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one|CS-W017794
      1845-25-6

    References

    • Journal of Chemical Research, Miniprint, , # 9 p. 2442 - 2456
  • Route3
    • (1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]Heptan-3-one|CS-0510752
      473-62-1
    • ~5%
    • (1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one|CS-W017794
      1845-25-6
    • null|null
      141243-74-5

    References

    • Tetrahedron, , vol. 48, # 10 p. 1927 - 1942

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.3725
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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