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CS-W001157 4
Total: USD 88.00

4-Fluoro-5-isopropyl-2-methoxyphenylboronic acid

  • CAS No. 875446-29-0

  • Cat. No. CS-M3091
  • Purity≥98%
  • MDL No.MFCD16294183

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

4-Fluoro-5-isopropyl-2-methoxyphenylboronic acid|CS-M3091

Structure of 875446-29-0

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General Information

  • CAS No. 875446-29-0
  • Cat. No. CS-M3091
  • Purity ≥98%
  • MDL No. MFCD16294183
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄BFO₃
  • Molecular Weight 212.03
  • Synonym(s) None
  • SMILES COC1=C(B(O)O)C=C(C(C)C)C(F)=C1

Synthesis

  • Route1
    • null|null
      1383814-83-2
    • ~96%
    • In-stock
      4-Fluoro-5-isopropyl-2-methoxyphenylboronic acid|CS-M3091
      875446-29-0

    References

    • LEK PHARMACEUTICALS D.D.; HUMLJAN, Jan; MARAS, Nenad Patent: WO2013/91696 A1, 2013 ; Location in patent: Page/Page column 42 ;
  • Route2
    • 1-Fluoro-4-iodo-5-methoxy-2-(propan-2-yl)benzene|CS-0057507
      875446-57-4
    • ~60%
    • In-stock
      4-Fluoro-5-isopropyl-2-methoxyphenylboronic acid|CS-M3091
      875446-29-0

    References

    • Smith, Cameron J.; Ali, Amjad; Hammond, Milton L.; Li, Hong; Lu, Zhijian; Napolitano, Joann; Taylor, Gayle E.; Thompson, Christopher F.; Anderson, Matt S.; Chen, Ying; Eveland, Suzanne S.; Guo, Qiu; Hyland, Sheryl A.; Milot, Denise P.; Sparrow, Carl P.; Wright, Samuel D.; Cumiskey, Anne-Marie; Latham, Melanie; Peterson, Laurence B.; Rosa, Ray; Pivnichny, James V.; Tong, Xinchun; Xu, Suoyu S.; Sinclair, Peter J. Journal of Medicinal Chemistry, 2011 , vol. 54, # 13 p. 4880 - 4895
  • Route3
    • null|null
      121-43-7
    • null|null
      1383676-72-9
    • ~81%
    • In-stock
      4-Fluoro-5-isopropyl-2-methoxyphenylboronic acid|CS-M3091
      875446-29-0

    References

    • LEK PHARMACEUTICALS D.D.; HUMLJAN, Jan; MARAS, Nenad Patent: WO2012/85133 A1, 2012 ; Location in patent: Page/Page column 46 ;

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   49.69
  • LogP   0.6375
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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