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CS-W001157 4
Total: USD 88.00

2-Phenylmalonic acid

  • CAS No. 2613-89-0

  • Cat. No. CS-W017219
  • Purity≥98%
  • MDL No.MFCD00004253

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

2-Phenylmalonic acid|CS-W017219

Structure of 2613-89-0

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General Information

  • CAS No. 2613-89-0
  • Cat. No. CS-W017219
  • Purity ≥98%
  • MDL No. MFCD00004253
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₄
  • Molecular Weight 180.16
  • Synonym(s) phenylpropanedioic acid
  • SMILES O=C(O)C(C1=CC=CC=C1)C(O)=O

Description

It is an important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.

Application

2-Phenylmalonic acid serves as a versatile building block in heterocyclic synthesis, particularly for the construction of pyrrolidines and other nitrogen-containing scaffolds via decarboxylative cyclization. Its well-defined stereochemistry and bench-stable nature facilitate reliable use in multistep sequences. The molecule functions effectively in standard condensation and cycloaddition protocols, offering predictable reactivity and compatibility with common protecting groups.

Synthesis

  • Route1

    References

    • Malki, Fatiha; Touati, Abdelkader; Rahal, Said; Moulay, Saad Asian Journal of Chemistry, 2011 , vol. 23, # 3 p. 961 - 967
  • Route2
    • null|null
      98-87-3
    • null|null
      124-38-9
    • ~20%
    • null|null
      103-82-2
    • In-stock
      2-Chloro-2-phenylacetic acid|CS-0040444
      4755-72-0
    • In-stock
      2-Phenylmalonic acid|CS-W017219
      2613-89-0

    References

    • Silvestri, G.; Gambino, S.; Filardo, G.; Greco, G.; Gulotta, A. Tetrahedron Letters, 1984 , vol. 25, # 38 p. 4307 - 4308
  • Route3
    • null|null
      108-88-3
    • ~%
    • null|null
      103-82-2
    • In-stock
      2-Phenylmalonic acid|CS-W017219
      2613-89-0

    References

    • Morton; Fallwell; Palmer Journal of the American Chemical Society, 1938 , vol. 60, p. 1426

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-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   0.9394
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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