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CS-W001157 4
Total: USD 88.00

5-tert-Butylisophthalic acid

  • CAS No. 2359-09-3

  • Cat. No. CS-0204315
  • Purity≥96%
  • MDL No.MFCD00067047

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

5-tert-Butylisophthalic acid|CS-0204315

Structure of 2359-09-3

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General Information

  • CAS No. 2359-09-3
  • Cat. No. CS-0204315
  • Purity ≥96%
  • MDL No. MFCD00067047
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₄
  • Molecular Weight 222.24
  • Synonym(s) 3-Benzenedicarboxylicacid,5-(1,1-dimethylethyl)-1
  • SMILES O=C(O)C=1C=C(C=C(C1)C(C)(C)C)C(=O)O

Description

5-tert-Butylisophthalic acid features a sterically hindered tert-butyl group positioned at the para-axis of the aromatic ring, enhancing solubility and stability in organic media. This substitution pattern imparts unique electronic and steric properties, enabling efficient integration into polymeric networks and coordination complexes. The molecule serves as a robust building block for functional materials requiring resistance to thermal degradation and controlled reactivity.

Application

5-tert-Butylisophthalic acid serves as a versatile building block for functionalized aromatic systems, enabling the synthesis of high-performance polymers and bioactive scaffolds. Its ortho-dicarboxylic acid functionality facilitates efficient amide coupling, esterification, and metal coordination, while the bulky tert-butyl group provides steric shielding and enhanced solubility. The compound exhibits excellent bench stability and is compatible with standard purification protocols, making it ideal for iterative synthetic sequences in medicinal chemistry and materials science.

Synthesis

  • Route1
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      186581-53-3
    • null|null
      253185-03-4
    • null|null
      124-38-9
    • ~0%
    • In-stock
      5-tert-Butylisophthalic acid|CS-0204315
      2359-09-3
    • In-stock
      Methyl 4-(tert-butyl)benzoate|CS-W015808
      26537-19-9
    • Dimethyl 5-(tert-butyl)isophthalate|CS-0582787
      16308-65-9
    • Methyl 3-Tert-Butylbenzoate|CS-0770143
      27330-57-0

    References

    • European Journal of Organic Chemistry, , # 21 p. 3985 - 3989
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 64, p. 1662,1665
  • Route3
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      108-38-3
    • ~%
    • In-stock
      5-tert-Butylisophthalic acid|CS-0204315
      2359-09-3

    References

    • Journal of the American Chemical Society, , vol. 64, p. 1662,1665

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   74.6
  • LogP   2.3805
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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