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CS-W001157 4
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(3AS,4S,6S,7aR)-2-butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole

  • CAS No. 85167-10-8

  • Cat. No. CS-0456228
  • Purity≥98%
  • MDL No.None

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

(3AS,4S,6S,7aR)-2-butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole|CS-0456228

Structure of 85167-10-8

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General Information

  • CAS No. 85167-10-8
  • Cat. No. CS-0456228
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₅BO₂
  • Molecular Weight 236.16
  • Synonym(s) (3aS,4S,6S,7aR)-2-Butylhexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole
  • SMILES CCCCB1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

Synthesis

  • Route1

    References

    • Shreder, Kevin R.; Wong, Melissa S.; Corral, Sergio; Yu, Zhizhou; Winn, David T.; Wu, Min; Hu, Yi; Nomanbhoy, Tyzoon; Alemayehu, Senaiet; Fuller, Stacy R.; Rosenblum, Jonathan S.; Kozarich, John W. Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 19 p. 4256 - 4260

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   18.46
  • LogP   3.5148
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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