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CS-W001157 4
Total: USD 88.00

(3aS,4S,6S,7aR)-2-Isobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole

  • CAS No. 84110-34-9

  • Cat. No. CS-0154258
  • Purity≥98%
  • MDL No.MFCD09837626

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

(3aS,4S,6S,7aR)-2-Isobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole|CS-0154258

Structure of 84110-34-9

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General Information

  • CAS No. 84110-34-9
  • Cat. No. CS-0154258
  • Purity ≥98%
  • MDL No. MFCD09837626
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₅BO₂
  • Molecular Weight 236.16
  • Synonym(s) 4,6-Methano-1,3,2-benzodioxaborole,hexahydro-3a,5,5-trimethyl-2-(2-methylpropyl)-, [3aS-(3aa,4b,6b,7aa)]-
  • SMILES CC(C)CB1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

Synthesis

  • Route1
    • In-stock
      2-Methylpropylboronic acid|CS-W000978
      84110-40-7
    • null|null
      57022-61-4
    • ~98%
    • In-stock
      (3aS,4S,6S,7aR)-2-Isobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole|CS-0154258
      84110-34-9

    References

    • WO2009/4350 A1, ; Page/Page column 9 ;
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 19, # 12 p. 3220 - 3224
  • Route3
    • null|null
      926-62-5
    • (3AS,4S,6S,7aR)-2-isopropoxy-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole|CS-0539889
      819816-59-6
    • ~60%
    • In-stock
      (3aS,4S,6S,7aR)-2-Isobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole|CS-0154258
      84110-34-9

    References

    • WO2005/21558 A2, ; Page/Page column 55-56 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   18.46
  • LogP   3.3707
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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