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Methyl 5-methoxy-3-oxopentanoate

  • CAS No. 62462-05-9

  • Cat. No. CS-0187518
  • Purity≥96%
  • MDL No.MFCD00042840

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

Methyl 5-methoxy-3-oxopentanoate|CS-0187518

Structure of 62462-05-9

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General Information

  • CAS No. 62462-05-9
  • Cat. No. CS-0187518
  • Purity ≥96%
  • MDL No. MFCD00042840
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₄
  • Molecular Weight 160.17
  • Synonym(s) Methyl 3-Keto-5-methoxyvalerate
  • SMILES COCCC(=O)CC(=O)OC

Description

Methyl 5-methoxy-3-oxopentanoate is a synthetically valuable β-keto ester featuring a methoxy-substituted alkyl chain and a ketone at the C3 position. This configuration enables efficient enolization and facilitates Michael additions, aldol reactions, and heterocycle syntheses under mild conditions. The molecule exhibits excellent stability in standard organic solvents and tolerates common reaction setups, making it well-suited for modular synthesis in medicinal chemistry and natural product derivatization workflows.

Synthesis

  • Route1
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      107-30-2
    • In-stock
      Methyl acetylacetate|CS-0017265
      105-45-3
    • ~%
    • In-stock
      Methyl 5-methoxy-3-oxopentanoate|CS-0187518
      62462-05-9

    References

    • Journal of the Chemical Society, Chemical Communications, , p. 91 - 92
  • Route2

    References

    • ABBVIE DEUTSCHLAND GMBH and CO. KG; HAUPT, Andreas Patent: WO2014/64038 A1, 2014 ; Location in patent: Page/Page column 45; 46 ;
  • Route3
    • null|null
      105197-76-0
    • ~92%
    • In-stock
      Methyl 5-methoxy-3-oxopentanoate|CS-0187518
      62462-05-9

    References

    • Sanchez, Ignacio H.; Larraza, Maria Isabel; Brena, Francisco Kuri; Cruz, Adrian; Sotelo, Octavio; Flores, Humberto J. Synthetic Communications, 1986 , vol. 16, # 3 p. 299 - 308

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   52.6
  • LogP   0.1551
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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