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CS-W001157 4
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Diethyl 2,5-dihydroxyterephthalate

  • CAS No. 5870-38-2

  • Cat. No. CS-W018426
  • Molecule weight254.24
  • Purity≥97%
  • MDL No.MFCD00055430

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

Diethyl 2,5-dihydroxyterephthalate|CS-W018426

Structure of 5870-38-2

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General Information

  • CAS No. 5870-38-2
  • Cat. No. CS-W018426
  • Purity ≥97%
  • MDL No. MFCD00055430
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₆
  • Molecular Weight 254.24
  • Synonym(s) 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, diethyl ester; Diethyl 2,5-dihydroxyterephthalate
  • SMILES O=C(OCC)C1=CC(O)=C(C=C1O)C(=O)OCC

Description

Diethyl 2,5-dihydroxyterephthalate features a symmetric aromatic core with two hydroxyl groups and two ester functionalities, enabling selective derivatization in synthetic routes. This bench-stable diester integrates readily into polymeric systems or complex molecular architectures, offering controlled reactivity under standard conditions.

Application

Diethyl 2,5-dihydroxyterephthalate serves as a versatile diester building block for the synthesis of functionalized aromatic systems and polyesters. Its ortho-hydroxyl groups enable controlled esterification, lactonization, or metal complexation, while the diethyl ester functionality facilitates sequential derivatization. The compound exhibits excellent bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • Diethyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate|CS-0336898
      16877-79-5
    • ~83%
    • In-stock
      Diethyl 2,5-dihydroxyterephthalate|CS-W018426
      5870-38-2

    References

    • Hintermann, Lukas; Suzuki, Keisuke Synthesis, 2008 , # 14 SPEC. ISS. art. no. C02208SS, p. 2303 - 2306
  • Route2
    • null|null
      64-17-5
    • In-stock
      2,5-Dihydroxyterephthalic acid|CS-W004616
      610-92-4
    • ~94%
    • In-stock
      Diethyl 2,5-dihydroxyterephthalate|CS-W018426
      5870-38-2

    References

    • Lee, Taek Seung; Kim, Young-Shin; Kwon, Na Young; Kim, Dai Gun; Lee, Minjung Molecular Crystals and Liquid Crystals, 2010 , vol. 519, p. 43 - 53
  • Route3

    References

    • John, Jubi; Hopf, Henning European Journal of Organic Chemistry, 2013 , # 5 p. 841 - 845

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   93.06
  • LogP   1.4512
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   4

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