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CS-W001157 4
Total: USD 88.00

4-Carboxyphenylboronic acid pinacol ester

  • CAS No. 180516-87-4

  • Cat. No. CS-W000887
  • Purity≥95%
  • MDL No.MFCD01863710

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

4-Carboxyphenylboronic acid pinacol ester|CS-W000887

Structure of 180516-87-4

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General Information

  • CAS No. 180516-87-4
  • Cat. No. CS-W000887
  • Purity ≥95%
  • MDL No. MFCD01863710
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇BO₄
  • Molecular Weight 248.09
  • Synonym(s) None
  • SMILES CC(C(C)(O1)C)(OB1C2=CC=C(C(O)=O)C=C2)C

Description

4-Carboxyphenylboronic acid pinacol ester features a boronate ester group that enhances stability and solubility in aqueous and organic media. This derivative enables efficient Suzuki-Miyaura coupling under mild conditions, delivering functionalized aryl carboxylic acids with high fidelity. The protected boron moiety resists hydrolysis during reaction setup and purification, simplifying handling in synthetic workflows.

Synthesis

  • Route1

    References

    • Kumar, Anil; Ye, Guofeng; Ahmadibeni, Yousef; Parang, Keykavous Journal of Organic Chemistry, 2006 , vol. 71, # 20 p. 7915 - 7918
  • Route2
    • In-stock
      4-Iodobenzoic acid|CS-W014112
      619-58-9
    • null|null
      25015-63-8
    • ~%
    • In-stock
      4-Carboxyphenylboronic acid pinacol ester|CS-W000887
      180516-87-4

    References

    • US6680401 B1, ; Page column 21 ;
  • Route3
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • In-stock
      Bis(pinacolato)diborane|CS-D1216
      73183-34-3
    • ~77%
    • In-stock
      4-Carboxyphenylboronic acid pinacol ester|CS-W000887
      180516-87-4

    References

    • Zhang, Jie; Wang, Xiaolong; Yu, Haitao; Ye, Jiahai Synlett, 2012 , vol. 23, # 9 p. 1394 - 1396

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

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   1.684
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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