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CS-W001157 4
Total: USD 88.00

3-Nitrophenylboronic acid

  • CAS No. 13331-27-6

  • Cat. No. CS-W007413
  • Purity≥97%
  • MDL No.MFCD00007193

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

3-Nitrophenylboronic acid|CS-W007413

Structure of 13331-27-6

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General Information

  • CAS No. 13331-27-6
  • Cat. No. CS-W007413
  • Purity ≥97%
  • MDL No. MFCD00007193
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆BNO₄
  • Molecular Weight 166.93
  • Synonym(s) None
  • SMILES OB(C1=CC=CC([N+]([O-])=O)=C1)O

Description

Reactant involved in:Copper-catalyzed arylationPalladium-catalyzed decarboxylative couplingSuzuki-Miyaura cross-couplingOxidative carbocyclization / arylationAddition to arylpropargyl alcoholsAdditionally used as a reactant for synthesizing biologically active molecules such as:Inhibitors of angiogenesisBiaryl-olefins with antiproliferative activities

Synthesis

  • Route1

    References

    • Pennington, Thomas E.; Kardiman, Cynantya; Hutton, Craig A. Tetrahedron Letters, 2004 , vol. 45, # 35 p. 6657 - 6660
  • Route2

    References

    • Morgan, Jacqueline; Pinhey, John T. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1990 , p. 715 - 720
  • Route3
    • null|null
      585-79-5
    • ~12%
    • In-stock
      3-Nitrophenylboronic acid|CS-W007413
      13331-27-6

    References

    • Li, Wenjie; Nelson, Dorian P.; Jensen, Mark S.; Hoerrner, R. Scott; Cai, Dongwei; Larsen, Robert D.; Reider, Paul J. Journal of Organic Chemistry, 2002 , vol. 67, # 15 p. 5394 - 5397

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   83.6
  • LogP   -0.7254
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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