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CS-W001157 4
Total: USD 88.00

2-(2-Fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

  • CAS No. 425378-68-3

  • Cat. No. CS-0037855
  • Purity≥97%
  • MDL No.None

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

2-(2-Fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|CS-0037855

Structure of 425378-68-3

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General Information

  • CAS No. 425378-68-3
  • Cat. No. CS-0037855
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅BFNO₄
  • Molecular Weight 267.06
  • Synonym(s) 2-Fluoro-5-nitrophenylboronicacidpinacolester
  • SMILES CC1(C)C(C)(C)OB(C2=C(C=CC(=C2)[N+](=O)[O-])F)O1

Synthesis

  • Route1

    References

    • MERCK SHARP and DOHME LIMITED Patent: WO2003/99816 A1, 2003 ; Location in patent: Page 45-46 ; WO 03/099816 A1
  • Route2

    References

    • Russell, Michael G. N.; Carling, Robert W.; Street, Leslie J.; Hallett, David J.; Goodacre, Simon; Mezzogori, Elena; Reader, Michael; Cook, Susan M.; Bromidge, Frances A.; Newman, Robert; Smith, Alison J.; Wafford, Keith A.; Marshall, George R.; Reynolds, David S.; Dias, Rebecca; Ferris, Pushpindar; Stanley, Jo; Lincoln, Rachael; Tye, Spencer J.; Sheppard, Wayne F. A.; Sohal, Bindi; Pike, Andrew; Dominguez, Maria; Atack, John R.; Castro, Jose L. Journal of Medicinal Chemistry, 2006 , vol. 49, # 4 p. 1235 - 1238

Safety Information

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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   61.6
  • LogP   2.0331
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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