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CS-W001157 4
Total: USD 88.00

5-Methyl-3-oxohexanoic acid methyl ester

  • CAS No. 30414-55-2

  • Cat. No. CS-W000361
  • Purity≥97%
  • MDL No.MFCD12031307

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

5-Methyl-3-oxohexanoic acid methyl ester|CS-W000361

Structure of 30414-55-2

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General Information

  • CAS No. 30414-55-2
  • Cat. No. CS-W000361
  • Purity ≥97%
  • MDL No. MFCD12031307
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₃
  • Molecular Weight 158.20
  • Synonym(s) Methyl 5-methyl-3-oxohexanoate
  • SMILES CC(C)CC(CC(OC)=O)=O

Description

5-Methyl-3-oxohexanoic acid methyl ester features a β-keto ester motif with a branched alkyl chain, enabling facile enolization and participation in aldol-type condensations. This structural motif supports efficient carbon–carbon bond formation under mild conditions, making it valuable for constructing complex cyclic architectures in synthetic organic chemistry.

Application

5-Methyl-3-oxohexanoic acid methyl ester serves as a versatile β-keto ester scaffold for Claisen condensations, aldol reactions, and heterocycle synthesis. Its well-defined enolizable α-protons enable controlled carbon–carbon bond formation, while the methyl ester group supports straightforward derivatization. Bench-stable and readily purified by distillation or column chromatography, it functions reliably in multi-step synthetic sequences requiring functional group compatibility and predictable reactivity.

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

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.1647
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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