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CS-W001157 4
Total: USD 88.00

8-Cyclopropyl-4-methyl-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide

  • CAS No. 1104637-36-6

  • Cat. No. CS-0020008
  • Purity≥98%
  • MDL No.MFCD11215247

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

8-Cyclopropyl-4-methyl-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide|CS-0020008

Structure of 1104637-36-6

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General Information

  • CAS No. 1104637-36-6
  • Cat. No. CS-0020008
  • Purity ≥98%
  • MDL No. MFCD11215247
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂BNO₄
  • Molecular Weight 197.00
  • Synonym(s) 2-Cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
  • SMILES C[N](C1)(C2)[B+3]([O-]C2=O)([CH-]3CC3)[O-]C1=O

Application

8-Cyclopropyl-4-methyl-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide serves as a stable, bench-ready boron-containing building block for the construction of complex heterocyclic scaffolds. Its dual oxazaborole motifs enable selective transformations under mild conditions, facilitating C–C and C–heteroatom bond formation in medicinal chemistry workflows. The cyclopropyl and methyl substituents enhance structural rigidity and metabolic stability, making it well-suited for targeted synthesis of advanced API intermediates.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 131, p. 6961 - 6963
  • Route2
    • null|null
      186581-53-3
    • In-stock
      Vinylboronic acid MIDA ester|CS-0119912
      1104636-73-8
    • ~94%
    • 8-Cyclopropyl-4-methyl-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide|CS-0020008
      1104637-36-6

    References

    • Tetrahedron, , vol. 65, # 16 p. 3130 - 3138

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   N/A
  • LogP   N/A
  • H_Acceptors   N/A
  • H_Donors   N/A
  • Rotatable_Bonds   N/A

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