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CS-W001157 4
Total: USD 88.00

(3aR,6S)-8,8-Dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide

  • CAS No. 107869-45-4

  • Cat. No. CS-0196492
  • Purity≥98%
  • MDL No.None

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

(3aR,6S)-8,8-Dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide|CS-0196492

Structure of 107869-45-4

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General Information

  • CAS No. 107869-45-4
  • Cat. No. CS-0196492
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅NO₂S
  • Molecular Weight 213.30
  • Synonym(s) (7R)-(+)-10,10-Dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-ene 3,3-Dioxide
  • SMILES CC1(C)C2CC[C@@]31CS(=O)(=O)N=C3C2

Synthesis

  • Route1
    • (1R)-10-Camphorsulfonamide|CS-W012947
      72597-34-3
    • ~99%
    • (3aR,6S)-8,8-Dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide|CS-0196492
      107869-45-4

    References

    • Vandewalle, M.; Van der Eycken, J.; Oppolzer, W.; Vullioud, C. Tetrahedron, 1986 , vol. 42, # 14 p. 4035 - 4044
  • Route2

    References

    • Organic Letters, , vol. 2, # 26 p. 4157 - 4160
  • Route3

    References

    • Organic Letters, , vol. 2, # 26 p. 4157 - 4160

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   46.5
  • LogP   1.5971
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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