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CS-W001157 4
Total: USD 88.00

3-Methoxy-2,2-dimethyl-3-oxopropanoic acid

  • CAS No. 13051-21-3

  • Cat. No. CS-W004424
  • Purity≥97%
  • MDL No.MFCD09833517

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

3-Methoxy-2,2-dimethyl-3-oxopropanoic acid|CS-W004424

Structure of 13051-21-3

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General Information

  • CAS No. 13051-21-3
  • Cat. No. CS-W004424
  • Purity ≥97%
  • MDL No. MFCD09833517
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₄
  • Molecular Weight 146.14
  • Synonym(s) propanedioic acid, 2,2-dimethyl-, monomethyl ester
  • SMILES COC(=O)C(C(=O)O)(C)C

Description

This oxo-acid derivative features a methoxy-substituted acyl group flanked by two methyl groups, delivering enhanced stability and solubility in organic media. The electron-withdrawing carbonyl and sterically shielded alpha-position enable controlled reactivity in synthetic transformations.

Application

3-Methoxy-2,2-dimethyl-3-oxopropanoic acid serves as a versatile building block for β-keto ester and heterocyclic scaffold synthesis. Its α,α-dimethyl substitution enhances bench stability and facilitates purification, while the ester and ketone functionalities enable diverse transformations including Claisen condensations, Michael additions, and cyclizations. The molecule functions effectively in multistep sequences requiring functional group tolerance and predictable reactivity.

Safety Information

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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   63.6
  • LogP   0.2702
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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