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CS-W001157 4
Total: USD 88.00

Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate

  • CAS No. 115118-68-8

  • Cat. No. CS-0052773
  • Purity≥97%
  • MDL No.MFCD06742779

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

Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate|CS-0052773

Structure of 115118-68-8

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General Information

  • CAS No. 115118-68-8
  • Cat. No. CS-0052773
  • Purity ≥97%
  • MDL No. MFCD06742779
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₄O₆
  • Molecular Weight 288.34
  • Synonym(s) None
  • SMILES COC1(CC(C1)(C(=O)OC(C)C)C(=O)OC(C)C)OC

Description

Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate features a sterically hindered cyclobutane core with two geminal methoxy groups, enhancing stability and solubility in organic media. This bench-stable diester serves as a key building block for strained ring systems and asymmetric synthesis, enabling efficient access to complex carbocyclic architectures through controlled hydrolysis or reduction.

Application

Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate serves as a stable, bench-ready building block for cyclobutane-based scaffolds. Its dimethoxy-substituted cyclobutane core enables controlled ring-opening reactions and facilitates functionalization via nucleophilic displacement or transition-metal-catalyzed coupling. The diisopropyl ester groups enhance solubility and simplify purification, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • INCYTE CORPORATION Patent: US2009/233903 A1, 2009 ; Location in patent: Page/Page column 46 ; US 20090233903 A1
  • Route2

    References

    • MERCK and CO. INC. Patent: WO2004/82682 A1, 2004 ; Location in patent: Page 35 ; WO 2004/082682 A1

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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   71.06
  • LogP   1.6589
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   6

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