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CS-W001157 4
Total: USD 88.00

Diphenyl malonate

  • CAS No. 1969-44-4

  • Cat. No. CS-0156092
  • Purity≥98%
  • MDL No.MFCD00437604

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

Diphenyl malonate|CS-0156092

Structure of 1969-44-4

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General Information

  • CAS No. 1969-44-4
  • Cat. No. CS-0156092
  • Purity ≥98%
  • MDL No. MFCD00437604
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₂O₄
  • Molecular Weight 256.25
  • Synonym(s) Propanedioic acid, diphenyl ester
  • SMILES C1=CC=C(C=C1)OC(=O)CC(=O)OC2=CC=CC=C2

Description

Diphenyl malonate serves as a robust synthon in organic synthesis, featuring two phenyl ester groups flanking a central malonate core. This structure enables facile deprotonation and subsequent alkylation, delivering access to substituted malonic acid derivatives under mild conditions. The molecule exhibits excellent stability and compatibility with diverse reaction environments.

Application

Diphenyl malonate serves as a versatile synthon in organic synthesis, enabling efficient access to α-substituted malonic acid derivatives through nucleophilic addition and subsequent decarboxylation. Its bench-stable nature and compatibility with a broad range of reaction conditions facilitate straightforward functionalization, making it particularly useful for constructing cyclic and acyclic building blocks in medicinal chemistry and natural product synthesis.

Synthesis

  • Route1
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    • ~99%
    • In-stock
      Diphenyl malonate|CS-0156092
      1969-44-4

    References

    • PFIZER LIMITED Patent: US2007/197478 A1, 2007 ; Location in patent: Page/Page column 67 ;
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      1663-67-8
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      108-95-2
    • ~%
    • In-stock
      Diphenyl malonate|CS-0156092
      1969-44-4

    References

    • Chemische Berichte, , vol. 35, p. 3452
  • Route3
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      504-64-3
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      108-95-2
    • ~%
    • In-stock
      Diphenyl malonate|CS-0156092
      1969-44-4

    References

    • Proceedings of the Indiana Academy of Science, , vol. 61, p. 126

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   2.5877
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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