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CS-W001157 4
Total: USD 88.00

Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate

  • CAS No. 26845-47-6

  • Cat. No. CS-W018928
  • Purity≥95%
  • MDL No.MFCD13195278

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

Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate|CS-W018928

Structure of 26845-47-6

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General Information

  • CAS No. 26845-47-6
  • Cat. No. CS-W018928
  • Purity ≥95%
  • MDL No. MFCD13195278
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆O₄
  • Molecular Weight 200.23
  • Synonym(s) 1,4-Dioxaspiro[4.5]decane-8-carboxylic Acid Methyl Ester
  • SMILES COC(=O)C1CCC2(CC1)OCCO2

Description

Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate features a rigid spirocyclic core that imparts conformational stability and enhances stereochemical control in synthetic applications. The ester functionality enables direct derivatization or hydrolysis under mild conditions, while the dioxane ring system provides excellent moisture tolerance and bench-stability. This scaffold serves as a valuable building block in complex molecule synthesis.

Application

Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate serves as a versatile bicyclic scaffold for medicinal chemistry and synthetic applications. Its spirocyclic core provides conformational rigidity and enhanced metabolic stability, while the ester functionality enables straightforward derivatization via hydrolysis or nucleophilic substitution. The molecule exhibits excellent bench stability and tolerates a range of reaction conditions, facilitating incorporation into complex molecular architectures.

Synthesis

  • Route1

    References

    • Pearson, Anthony J.; Fang, Xinqin Journal of Organic Chemistry, 1997 , vol. 62, # 16 p. 5284 - 5292
  • Route2

    References

    • Rhone-Poulenc Rorer Pharmaceuticals Inc. Patent: US5385912 A1, 1995 ; US 5385912 A
  • Route3

    References

    • Kitbunnadaj, Ruengwit; Hoffmann, Marcel; Fratantoni, Silvina A.; Bongers, Gerold; Bakker, Remko A.; Wieland, Kerstin; El Jilali, Ahmed; De Esch, Iwan J. P.; Menge, Wiro M. P. B.; Timmerman, Henk; Leurs, Rob Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 23 p. 6309 - 6323

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   44.76
  • LogP   1.0927
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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