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CS-W001157 4
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(5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid

  • CAS No. 850568-62-6

  • Cat. No. CS-0002250
  • Purity≥97%
  • MDL No.MFCD06659824

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

(5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid|CS-0002250

Structure of 850568-62-6

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General Information

  • CAS No. 850568-62-6
  • Cat. No. CS-0002250
  • Purity ≥97%
  • MDL No. MFCD06659824
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₂BNO₅
  • Molecular Weight 367.20
  • Synonym(s) 5-Benzyloxy-1-boc-indole-2-boronic acid
  • SMILES O=C(OC(C)(C)C)N1C(B(O)O)=CC2=C1C=CC(OCC3=CC=CC=C3)=C2

Synthesis

  • Route1
    • tert-Butyl 5-(benzyloxy)-1H-indole-1-carboxylate|CS-0154784
      170147-29-2
    • ~97%
    • In-stock
      (5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid|CS-0002250
      850568-62-6

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2009/5998 A1, 2009 ; Location in patent: Page/Page column 256-257 ;
  • Route2
    • null|null
      5419-55-6
    • tert-Butyl 5-(benzyloxy)-1H-indole-1-carboxylate|CS-0154784
      170147-29-2
    • ~98%
    • In-stock
      (5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid|CS-0002250
      850568-62-6

    References

    • Pagano, Nicholas; Maksimoska, Jasna; Bregman, Howard; Williams, Douglas S.; Webster, Richard D.; Xue, Feng; Meggers, Eric Organic and Biomolecular Chemistry, 2007 , vol. 5, # 8 p. 1218 - 1227
  • Route3

    References

    • Organic and Biomolecular Chemistry, , vol. 5, # 8 p. 1218 - 1227

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.92
  • LogP   2.6833
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   4

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