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(1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl)boronic acid

  • CAS No. 475102-11-5

  • Cat. No. CS-0002265
  • Molecule weight295.53
  • Purity≥97%
  • MDL No.MFCD04114582

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

(1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl)boronic acid|CS-0002265

Structure of 475102-11-5

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General Information

  • CAS No. 475102-11-5
  • Cat. No. CS-0002265
  • Purity ≥97%
  • MDL No. MFCD04114582
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅BClNO₄
  • Molecular Weight 295.53
  • Synonym(s) 1-Boc-4-Chloro-1H-Indole-2-Boronic Acid
  • SMILES O=C(OC(C)(C)C)N1C(B(O)O)=CC2=C1C=CC=C2Cl

Synthesis

  • Route1

    References

    • Vazquez, Enrique; Davies, Ian W.; Payack, Joseph F. Journal of Organic Chemistry, 2002 , vol. 67, # 21 p. 7551 - 7552
  • Route2
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      5419-55-6
    • In-stock
      1-Boc-4-Chloroindole|CS-0205353
      129822-46-4
    • ~%
    • In-stock
      (1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl)boronic acid|CS-0002265
      475102-11-5

    References

    • SANOFI; ARNAUD, Joëlle; ARTIAGA, Martine; BARTH, Francis; HORTALA, Laurent; MARTINEZ, Serge; ROUX, Pascale Patent: WO2013/87643 A1, 2013 ; Location in patent: Page/Page column 18 ;
  • Route3

    References

    • SANOFI; ARNAUD, Joëlle; ARTIAGA, Martine; BARTH, Francis; HORTALA, Laurent; MARTINEZ, Serge; ROUX, Pascale Patent: WO2013/87643 A1, 2013 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   71.69
  • LogP   1.7577
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   1

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