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(1-(tert-Butoxycarbonyl)-5-cyano-1H-indol-2-yl)boronic acid

  • CAS No. 475102-15-9

  • Cat. No. CS-0002261
  • Molecule weight286.09
  • Purity≥95%
  • MDL No.MFCD04114578

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

(1-(tert-Butoxycarbonyl)-5-cyano-1H-indol-2-yl)boronic acid|CS-0002261

Structure of 475102-15-9

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General Information

  • CAS No. 475102-15-9
  • Cat. No. CS-0002261
  • Purity ≥95%
  • MDL No. MFCD04114578
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅BN₂O₄
  • Molecular Weight 286.09
  • Synonym(s) N-tert-Butoxycarbonyl-5-cyano-1H-indole-2-boronic acid
  • SMILES N#CC1=CC2=C(C=C1)N(C(OC(C)(C)C)=O)C(B(O)O)=C2

Synthesis

  • Route1

    References

    • Mizuta, Masahiro; Seio, Kohji; Miyata, Kenichi; Sekine, Mitsuo Journal of Organic Chemistry, 2007 , vol. 72, # 14 p. 5046 - 5055
  • Route2
    • In-stock
      tert-Butyl 5-cyano-1H-indole-1-carboxylate|CS-0041518
      475102-10-4
    • ~%
    • 5-Cyanoindole-2-boronic acid|CS-0137737
      871329-64-5
    • In-stock
      (1-(tert-Butoxycarbonyl)-5-cyano-1H-indol-2-yl)boronic acid|CS-0002261
      475102-15-9

    References

    • Aventis Pharma S.A. Patent: US2004/242559 A1, 2004 ; Location in patent: Page 19 ; US 20040242559 A1
  • Route3

    References

    • Vazquez, Enrique; Davies, Ian W.; Payack, Joseph F. Journal of Organic Chemistry, 2002 , vol. 67, # 21 p. 7551 - 7552

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-P280-P304+P340-P405

Quality Control

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Computational Chemistry Data

  • TPSA   95.48
  • LogP   0.97598
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   1

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