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CS-W001157 4
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malonic acid dibutyl ester

  • CAS No. 1190-39-2

  • Cat. No. CS-0152097
  • Molecule weight216.27
  • Purity≥97%
  • MDL No.MFCD00053795

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

malonic acid dibutyl ester|CS-0152097

Structure of 1190-39-2

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General Information

  • CAS No. 1190-39-2
  • Cat. No. CS-0152097
  • Purity ≥97%
  • MDL No. MFCD00053795
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀O₄
  • Molecular Weight 216.27
  • Synonym(s) Malonicaciddinbutylester
  • SMILES CCCCOC(=O)CC(=O)OCCCC

Description

Malonic acid dibutyl ester serves as a key diester building block in synthetic organic chemistry, offering enhanced solubility and stability under standard conditions. This compound integrates readily into Michael additions and Knoevenagel condensations, where its reactive methylene group facilitates efficient carbon–carbon bond formation.

Application

Malonic acid dibutyl ester serves as a versatile diester building block in synthetic organic chemistry, enabling efficient access to substituted malonates via alkylation and subsequent hydrolysis/decarboxylation. Its bench-stable nature and compatibility with a broad range of nucleophiles facilitate reliable synthesis of carboxylic acids, ketones, and heterocyclic scaffolds. Functions effectively in standard Knoevenagel condensations and Michael additions, offering predictable reactivity for medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      141-82-2
    • null|null
      71-36-3
    • ~95%
    • In-stock
      malonic acid dibutyl ester|CS-0152097
      1190-39-2

    References

    • Xia, Chun-Nian; Hu, Wei-Xiao Journal of Chemical Research, 2005 , # 5 p. 332 - 334
  • Route2
    • null|null
      109-65-9
    • null|null
      141-82-2
    • ~%
    • null|null
      5917-45-3
    • In-stock
      malonic acid dibutyl ester|CS-0152097
      1190-39-2

    References

    • Tetrahedron, , vol. 45, # 5 p. 1533 - 1536
  • Route3
    • null|null
      16501-24-9
    • null|null
      71-36-3
    • ~%
    • In-stock
      malonic acid dibutyl ester|CS-0152097
      1190-39-2
    • null|null
      1319740-87-8

    References

    • Organic Letters, , vol. 13, # 16 p. 4406 - 4409

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H227
Precautionary Statements : P210-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.0631
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   8

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