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Methyl 2-hydroxy-3-methylbutanoate

  • CAS No. 17417-00-4

  • Cat. No. CS-0254529
  • Purity≥95%
  • MDL No.MFCD12964324

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

Methyl 2-hydroxy-3-methylbutanoate|CS-0254529

Structure of 17417-00-4

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General Information

  • CAS No. 17417-00-4
  • Cat. No. CS-0254529
  • Purity ≥95%
  • MDL No. MFCD12964324
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₂O₃
  • Molecular Weight 132.16
  • Synonym(s) 2-Hydroxy-3-methylbutyric acid methyl ester
  • SMILES CC(C)C(O)C(OC)=O

Description

Methyl 2-hydroxy-3-methylbutanoate is a chiral ester featuring a hydroxyl group adjacent to a branched alkyl chain, enabling its use in asymmetric synthesis. This bench-stable compound integrates readily into complex molecular architectures, particularly in natural product and pharmaceutical intermediates.

Application

Methyl 2-hydroxy-3-methylbutanoate serves as a versatile chiral building block in synthetic organic chemistry, enabling efficient access to γ-hydroxy esters and related heterocyclic scaffolds. Its pendant hydroxyl and methyl groups offer orthogonal functionalization potential, while the ester moiety facilitates selective transformations. The compound exhibits good bench stability and is amenable to standard purification techniques, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   0.1763
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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