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CS-W001157 4
Total: USD 88.00

2-(Propan-2-yloxy)benzoic acid

  • CAS No. 63635-26-7

  • Cat. No. CS-0258612
  • Purity≥95%
  • MDL No.None

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

2-(Propan-2-yloxy)benzoic acid|CS-0258612

Structure of 63635-26-7

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General Information

  • CAS No. 63635-26-7
  • Cat. No. CS-0258612
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) Benzoic acid, 2-(1-methylethoxy)-
  • SMILES CC(C)OC1=CC=CC=C1C(=O)O

Description

This boronic acid derivative features a sterically hindered isopropoxy group adjacent to a carboxylic acid moiety, enhancing stability and solubility in organic media. The ortho-substituted architecture facilitates directed functionalization and enables efficient coupling reactions under mild conditions.

Application

2-(Propan-2-yloxy)benzoic acid serves as a stable, bench-ready building block for the synthesis of bioactive esters and prodrugs. Its ortho-alkoxybenzoic acid structure enables efficient coupling reactions with amines and alcohols under standard conditions. The tert-butyl ether functionality provides enhanced stability and facilitates selective deprotection during downstream transformations.

Synthesis

  • Route1
    • Propan-2-yl 2-propan-2-yloxybenzoate|CS-0709383
      6270-67-3
    • ~80%
    • In-stock
      2-(Propan-2-yloxy)benzoic acid|CS-0258612
      63635-26-7

    References

    • Kundu, Tapas Kumar; Balasubramanyam, Karanam; Swaminathan, Vankatesh Patent: US2006/167107 A1, 2006 ; Location in patent: Page/Page column 5 ; US 20060167107 A1
  • Route2
    • null|null
      75-26-3
    • Methyl salicylate, food grade|CS-0890223
      119-36-8
    • ~%
    • In-stock
      2-(Propan-2-yloxy)benzoic acid|CS-0258612
      63635-26-7

    References

    • US2003/109547 A1, ; US 20030109547 A1
  • Route3
    • null|null
      67-63-0
    • 2-Chlorobenzoic acid Mesalazine  Impurity|CS-0229161
      118-91-2
    • ~%
    • In-stock
      2-(Propan-2-yloxy)benzoic acid|CS-0258612
      63635-26-7

    References

    • US2003/229079 A1, ; Page 61-62 ;

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-P330-P362+P364-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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