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CS-W001157 4
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2,2'-(1,2-Phenylenebis(oxy))diacetic acid

  • CAS No. 5411-14-3

  • Cat. No. CS-W013030
  • Molecule weight226.18
  • Purity≥98%
  • MDL No.MFCD00014353

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

2,2'-(1,2-Phenylenebis(oxy))diacetic acid|CS-W013030

Structure of 5411-14-3

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General Information

  • CAS No. 5411-14-3
  • Cat. No. CS-W013030
  • Purity ≥98%
  • MDL No. MFCD00014353
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₆
  • Molecular Weight 226.18
  • Synonym(s) Pyrocatechol-O,O-diacetic acid
  • SMILES O=C(O)COC1=CC=CC=C1OCC(O)=O

Description

This bifunctional dicarboxylic acid features a rigid phenylene linker flanked by ether linkages, enabling precise spatial orientation of carboxylate groups. The structure supports robust coordination in metal-organic frameworks and facilitates conjugation in bioactive molecule synthesis.

Application

2,2'-(1,2-Phenylenebis(oxy))diacetic acid serves as a versatile bifunctional building block for the synthesis of chelating agents and functionalized polymers. Its ortho-phenylene-linked diacid structure enables efficient coordination with metal ions, while the pendant carboxylic acid groups offer high solubility and ease of derivatization under standard conditions. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for use in ligand design, supramolecular chemistry, and modular synthesis workflows.

Synthesis

  • Route1
    • null|null
      120-80-9
    • null|null
      79-11-8
    • ~93%
    • In-stock
      2,2'-(1,2-Phenylenebis(oxy))diacetic acid|CS-W013030
      5411-14-3

    References

    • Wang, Xicun; Wei, Taibao; Chen, Jichou; Li, Junrong Synthetic Communications, 1996 , vol. 26, # 14 p. 2765 - 2773
  • Route2
    • null|null
      52376-09-7
    • ~77%
    • In-stock
      2,2'-(1,2-Phenylenebis(oxy))diacetic acid|CS-W013030
      5411-14-3

    References

    • Gansow, Otto A.; Kausar, A. Rashid; Triplett, Kelly B. Journal of Heterocyclic Chemistry, 1981 , vol. 18, p. 297 - 302
  • Route3
    • null|null
      120-80-9
    • ~%
    • In-stock
      2,2'-(1,2-Phenylenebis(oxy))diacetic acid|CS-W013030
      5411-14-3

    References

    • Tetrahedron, , vol. 61, # 22 p. 5351 - 5362

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

Quality Control

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Computational Chemistry Data

  • TPSA   93.06
  • LogP   0.6134
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   6

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