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CS-W001157 4
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5,6,7,8-Tetrahydro-4H-cyclohepta[d]isoxazol-3-ol

  • CAS No. 935-91-1

  • Cat. No. CS-0462300
  • Molecule weight153.18
  • Purity≥98%
  • MDL No.MFCD22689286

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

5,6,7,8-Tetrahydro-4H-cyclohepta[d]isoxazol-3-ol|CS-0462300

Structure of 935-91-1

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General Information

  • CAS No. 935-91-1
  • Cat. No. CS-0462300
  • Purity ≥98%
  • MDL No. MFCD22689286
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO₂
  • Molecular Weight 153.18
  • Synonym(s) 2H-Cyclohept[d]isoxazol-3(4H)-one,5,6,7,8-tetrahydro-(9CI)
  • SMILES C1CCC2=C(CC1)ON=C2O

Synthesis

  • Route1

    References

    • Clausen, Rasmus P.; Naur, Peter; Kristensen, Anders S.; Greenwood, Jeremy R.; Strange, Mette; Brauner-Osborne, Hans; Jensen, Anders A.; Nielsen, Anne Sophie T.; Geneser, Ulla; Ringgaard, Lone M.; Nielsen, Birgitte; Pickering, Darryl S.; Brehm, Lotte; Gajhede, Michael; Krogsgaard-Larsen, Povl; Kastrup, Jette S. Journal of Medicinal Chemistry, 2009 , vol. 52, # 15 p. 4911 - 4922
  • Route2

    References

    • Jacquier,R. et al. Bulletin de la Societe Chimique de France, 1970 , p. 2685 - 2690

Safety Information

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Computational Chemistry Data

  • TPSA   46.26
  • LogP   1.6491
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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