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CS-W001157 4
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1-[2-(Oxan-2-yloxy)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

  • CAS No. 956907-34-9

  • Cat. No. CS-0052679
  • Purity≥98%
  • MDL No.None

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

1-[2-(Oxan-2-yloxy)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole|CS-0052679

Structure of 956907-34-9

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General Information

  • CAS No. 956907-34-9
  • Cat. No. CS-0052679
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₇BN₂O₄
  • Molecular Weight 322.21
  • Synonym(s) 1-{2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl}-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
  • SMILES CC1(C)OB(OC1(C)C)C1=CN(CCOC2CCCCO2)N=C1

Synthesis

  • Route1

    References

    • Ndubaku, Chudi O.; Heffron, Timothy P.; Staben, Steven T.; Baumgardner, Matthew; Blaquiere, Nicole; Bradley, Erin; Bull, Richard; Do, Steven; Dotson, Jennafer; Dudley, Danette; Edgar, Kyle A.; Friedman, Lori S.; Goldsmith, Richard; Heald, Robert A.; Kolesnikov, Aleksandr; Lee, Leslie; Lewis, Cristina; Nannini, Michelle; Nonomiya, Jim; Pang, Jodie; Price, Steve; Prior, Wei Wei; Salphati, Laurent; Sideris, Steve; Wallin, Jeffery J.; Wang, Lan; Wei, Binqing; Sampath, Deepak; Olivero, Alan G. Journal of Medicinal Chemistry, 2013 , vol. 56, # 11 p. 4597 - 4610
  • Route2

    References

    • PFIZER INC. Patent: US2007/265272 A1, 2007 ; Location in patent: Page/Page column 37; 39 ;
  • Route3

    References

    • NOVARTIS AG; FURET, Pascal; KALTHOFF, Frank Stephan; MAH, Robert; RAGOT, Christian; STAUFFER, Frederic Patent: WO2010/139731 A1, 2010 ; Location in patent: Page/Page column 219-220 ; WO 2010/139731 A1

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   54.74
  • LogP   1.7255
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   5

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