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CS-W001157 4
Total: USD 88.00

3-Isopropoxybenzoic acid

  • CAS No. 60772-67-0

  • Cat. No. CS-0038449
  • Purity≥97%
  • MDL No.MFCD01922170

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

3-Isopropoxybenzoic acid|CS-0038449

Structure of 60772-67-0

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General Information

  • CAS No. 60772-67-0
  • Cat. No. CS-0038449
  • Purity ≥97%
  • MDL No. MFCD01922170
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) Benzoic acid, 3-(1-methylethoxy)-
  • SMILES CC(C)OC1=CC(=CC=C1)C(=O)O

Description

3-Isopropoxybenzoic acid features a para-substituted aromatic ring with a sterically hindered isopropoxy group and a carboxylic acid functionality. This combination delivers enhanced solubility in organic solvents while maintaining stability under standard bench conditions, enabling straightforward incorporation into synthetic workflows involving esterification or coupling reactions.

Application

3-Isopropoxybenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling direct incorporation of both electron-donating alkoxy and carboxylic acid functionalities. Its bench-stable nature and compatibility with standard coupling reactions—such as amide formation and esterification—facilitate efficient synthesis of bioactive molecules and functional polymers. The isopropoxy group enhances solubility and modulates electronic properties, supporting predictable reactivity in diverse synthetic workflows.

Synthesis

  • Route1
    • null|null
      75-30-9
    • In-stock
      3-Hydroxybenzoic acid|CS-W004049
      99-06-9
    • ~29%
    • In-stock
      3-Isopropoxybenzoic acid|CS-0038449
      60772-67-0

    References

    • BAYER PHARMACEUTICALS CORPORATION Patent: WO2007/27842 A1, 2007 ; Location in patent: Page/Page column 114-115 ;
  • Route2

    References

    • US5635510 A1, ; US 5635510 A
  • Route3

    References

    • Journal of the Chemical Society, , p. 430,432

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 : P233-P260-P261-P264-P271-P280-P302+P352-P304+P340-P340-P362-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.172
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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