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CS-W001157 4
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Dimethyl acetone-1,3-dicarboxylate

  • CAS No. 1830-54-2

  • Cat. No. CS-W017517
  • Purity≥95%
  • MDL No.MFCD00008462

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

Dimethyl acetone-1,3-dicarboxylate|CS-W017517

Structure of 1830-54-2

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General Information

  • CAS No. 1830-54-2
  • Cat. No. CS-W017517
  • Purity ≥95%
  • MDL No. MFCD00008462
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₅
  • Molecular Weight 174.15
  • Synonym(s) Dimethyl-3-oxoglutarate
  • SMILES C(C(CC(OC)=O)=O)C(OC)=O

Description

Dimethyl acetone-1,3-dicarboxylate serves as a versatile synthon in organic synthesis, featuring two ester groups flanking a ketone functionality. This configuration enables efficient Michael additions and Claisen condensations under mild conditions. The molecule’s electron-deficient β-ketoester core enhances reactivity in carbon–carbon bond-forming processes. Its bench-stable nature supports straightforward handling in multistep sequences.

Synthesis

  • Route1

    References

    • EGIS GYOGYSZERGYAR RT. Patent: WO2004/89867 A2, 2004 ; Location in patent: Page 20-26 ;
  • Route2

    References

    • Ohta, Shunsaku; Tsujimura, Atsuhiko; Okamoto, Masao Chemical & Pharmaceutical Bulletin, 1981 , vol. 29, # 10 p. 2762 - 2768
  • Route3
    • In-stock
      Methyl acetylacetate|CS-0017265
      105-45-3
    • null|null
      616-38-6
    • ~%
    • In-stock
      Dimethyl acetone-1,3-dicarboxylate|CS-W017517
      1830-54-2

    References

    • Recueil des Travaux Chimiques des Pays-Bas, , vol. 108, # 2 p. 51 - 56

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317
Precautionary Statements : P261-P272-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   69.67
  • LogP   -0.3183
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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