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CS-W001157 4
Total: USD 88.00

tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate Crizotinib Impurity

  • CAS No. 877399-74-1

  • Cat. No. CS-0229069
  • Purity≥98%
  • MDL No.MFCD11112131

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

tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate Crizotinib  Impurity|CS-0229069

Structure of 877399-74-1

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General Information

  • CAS No. 877399-74-1
  • Cat. No. CS-0229069
  • Purity ≥98%
  • MDL No. MFCD11112131
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₃₂BN₃O₄
  • Molecular Weight 377.29
  • Synonym(s) tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate
  • SMILES O=C(OC(C)(C)C)N1CCC(CC1)N(N=C2)C=C2B(OC(C)3C)OC3(C)C

Synthesis

  • Route1

    References

    • CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.; XI, Ning; LI, Xiaobo; ZHOU, Shiqing Patent: WO2014/89280 A1, 2014 ; Location in patent: Page/Page column 50 ;
  • Route2
    • null|null
      141699-59-4
    • ~28%
    • tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate Crizotinib  Impurity|CS-0229069
      877399-74-1

    References

    • Blake, James F.; Boyd, Steven Armen; De Meese, Jason; Fong, Kin Chiu; Gaudino, John J.; Kaplan, Tomas; Marlow, Allison L.; Seo, Jeongbeob; Thomas, Allen A.; Tian, Hongqi; Cohen, Frederick; Young, Wendy B. Patent: US2007/238726 A1, 2007 ; Location in patent: Page/Page column 124 ; US 20070238726 A1
  • Route3
    • In-stock
      1H-Pyrazole-4-boronic acid pinacol ester|CS-D1164
      269410-08-4
    • null|null
      141699-59-4
    • ~40%
    • tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate Crizotinib  Impurity|CS-0229069
      877399-74-1

    References

    • OSI PHARMACEUTICALS, LLC; HOMBERGER, Keith, R.; BERGER, Dan, M.; CHEN, Xin; CREW, Andrew, P.; DONG, Hanqing; KLEINBERG, Andrew; LI, An-Hu; MA, Lifu; MULVIHILL, Mark, J.; PANICKER, Bijoy; SIU, Kam, W.; STEINIG, Arno, G.; TARRANT, James, G.; WANG, Jing; WENG, Qinghua; SANGEM, Rajaram; GUPTA, Ramesh, C. Patent: WO2011/100502 A1, 2011 ; Location in patent: Page/Page column 37 ; WO 2011/100502 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   65.82
  • LogP   2.7543
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   2

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