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CS-W001157 4
Total: USD 88.00

Methyl 3-oxopentanoate

  • CAS No. 30414-53-0

  • Cat. No. CS-W011110
  • Purity≥97%
  • MDL No.MFCD00011705

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

Methyl 3-oxopentanoate|CS-W011110

Structure of 30414-53-0

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General Information

  • CAS No. 30414-53-0
  • Cat. No. CS-W011110
  • Purity ≥97%
  • MDL No. MFCD00011705
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₃
  • Molecular Weight 130.14
  • Synonym(s) None
  • SMILES CCC(=O)CC(=O)OC

Description

Methyl 3-oxopentanoate is a versatile β-keto ester featuring a ketone group at the C3 position, enabling facile enolization and nucleophilic addition. This structure supports efficient carbon-carbon bond formation in aldol-type reactions and serves as a key intermediate in synthetic routes to complex molecules, including natural products and pharmaceuticals.

Application

Methyl 3-oxopentanoate serves as a versatile β-keto ester building block in synthetic organic chemistry, enabling efficient construction of substituted cyclohexanones and other carbocyclic frameworks via Claisen condensations and aldol-type reactions. Its well-defined reactivity profile supports predictable functionalization at the α-position, with excellent bench stability and straightforward purification. Widely employed in medicinal chemistry and natural product synthesis, it functions as a key intermediate for heterocycle formation and stereocontrolled C–C bond assembly.

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 : H227-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   43.37
  • LogP   0.5286
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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