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CS-W001157 4
Total: USD 88.00

2-(Benzoyloxy)-2-methylpropanoic acid

  • CAS No. 58570-00-6

  • Cat. No. CS-0042622
  • Purity≥97%
  • MDL No.MFCD20527272

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

2-(Benzoyloxy)-2-methylpropanoic acid|CS-0042622

Structure of 58570-00-6

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General Information

  • CAS No. 58570-00-6
  • Cat. No. CS-0042622
  • Purity ≥97%
  • MDL No. MFCD20527272
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₄
  • Molecular Weight 208.21
  • Synonym(s) 2-benzoyloxy-2-methylpropanoicacid
  • SMILES CC(C)(OC(=O)C1=CC=CC=C1)C(O)=O

Description

This acylating agent features a benzoyloxy group attached to a sterically hindered methylpropanoic acid scaffold, enabling selective esterification under mild conditions. The electron-withdrawing carbonyl enhances reactivity while maintaining bench stability, making it ideal for modifying hydroxyl functionalities in complex molecular architectures.

Application

2-(Benzoyloxy)-2-methylpropanoic acid serves as a stable, bench-ready acylating agent for selective hydroxyl group protection in complex molecule synthesis. Its tert-butyl-like steric profile enhances regioselectivity in polyfunctional substrates, while the benzoyl moiety facilitates straightforward deprotection under mild basic conditions. Functions effectively in esterification workflows requiring orthogonal handling and clean purification.

Synthesis

  • Route1
    • In-stock
      2-Hydroxyisobutyric acid|CS-W016640
      594-61-6
    • null|null
      98-88-4
    • ~83%
    • In-stock
      2-(Benzoyloxy)-2-methylpropanoic acid|CS-0042622
      58570-00-6

    References

    • ONO PHARMACEUTICALS CO., LTD.; Kokubo, Masaya; Yano, Koji Patent: US2013/245074 A1, 2013 ; Location in patent: Paragraph 0349-0352 ;

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   63.6
  • LogP   1.7066
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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