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CS-W001157 4
Total: USD 88.00

3,3-Dimethoxycyclobutanecarboxylic acid

  • CAS No. 332187-56-1

  • Cat. No. CS-0051626
  • Purity≥96%
  • MDL No.None

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

3,3-Dimethoxycyclobutanecarboxylic acid|CS-0051626

Structure of 332187-56-1

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General Information

  • CAS No. 332187-56-1
  • Cat. No. CS-0051626
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₄
  • Molecular Weight 160.17
  • Synonym(s) Cyclobutanecarboxylic acid, 3,3-dimethoxy- (9CI)
  • SMILES COC1(CC(C1)C(O)=O)OC

Description

3,3-Dimethoxycyclobutanecarboxylic acid features a rigid cyclobutane core bearing two methoxy groups at the geminal 3-position, enhancing solubility and metabolic stability. This electron-rich scaffold integrates readily into bioactive molecules, serving as a constrained isostere for carboxylic acid-containing pharmacophores in medicinal chemistry applications.

Application

3,3-Dimethoxycyclobutanecarboxylic acid serves as a stable, bench-ready building block for cyclobutane-based scaffolds in medicinal chemistry. The geminal dimethoxy group enhances solubility and provides a handle for selective deprotection or derivatization. It functions effectively in esterification, amidation, and coupling reactions, enabling access to diverse cyclobutanecarboxylate derivatives with predictable reactivity.

Synthesis

  • Route1

    References

    • US2008/280879 A1, ; Page/Page column 22; 23 ; US 20080280879 A1
  • Route2

    References

    • Pfizer Inc Patent: US2008/280879 A1, 2008 ; Location in patent: Page/Page column 22; 23 ; US 20080280879 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 : 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   55.76
  • LogP   0.4701
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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