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CS-W001157 4
Total: USD 88.00

Diethyl pentanedioate

  • CAS No. 818-38-2

  • Cat. No. CS-0010829
  • Purity≥98%
  • MDL No.MFCD00009212

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

Diethyl pentanedioate|CS-0010829

Structure of 818-38-2

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General Information

  • CAS No. 818-38-2
  • Cat. No. CS-0010829
  • Purity ≥98%
  • MDL No. MFCD00009212
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₄
  • Molecular Weight 188.22
  • Synonym(s) None
  • SMILES O=C(CCCC(OCC)=O)OCC

Description

1-Chloro-2-nitrobenzene was used in the synthesis of 1-hydroxybenzotriazole derivatives. It is important as a precursor to other compounds due to the two reactive sites present on the molecule.

Application

Diethyl pentanedioate serves as a versatile diester building block in synthetic organic chemistry, enabling efficient access to γ-keto ester intermediates via Claisen condensation. Its well-established reactivity facilitates the construction of substituted pyrones and heterocyclic scaffolds under standard conditions. The molecule exhibits excellent bench stability, ease of purification, and compatibility with a broad range of functional groups, making it a reliable choice for iterative synthesis and scale-up applications in medicinal chemistry workflows.

Synthesis

  • Route1
    • In-stock
      Glutaric acid|CS-W009536
      110-94-1
    • null|null
      64-17-5
    • ~74%
    • In-stock
      Diethyl pentanedioate|CS-0010829
      818-38-2

    References

    • Fallahpour, Reza-Ali; Hansen, Hans-Juergen Helvetica Chimica Acta, 1995 , vol. 78, # 6 p. 1419 - 1436
  • Route2
    • null|null
      64-17-5
    • In-stock
      Cyclohexane-1,3-dione|CS-W007466
      504-02-9
    • ~84%
    • In-stock
      Diethyl pentanedioate|CS-0010829
      818-38-2

    References

    • Terent'ev, Alexander O.; Borisov, Dmitry A.; Chernyshev, Vladimir V.; Nikishin, Gennady I. Journal of Organic Chemistry, 2009 , vol. 74, # 9 p. 3335 - 3340
  • Route3
    • null|null
      7425-50-5
    • ~5%
    • null|null
      4220-75-1
    • null|null
      4676-51-1
    • In-stock
      Diethyl pentanedioate|CS-0010829
      818-38-2
    • null|null
      623-70-1

    References

    • Journal of Organic Chemistry, , vol. 56, # 13 p. 4320 - 4322

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-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   1.2829
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   6

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