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CS-W001157 4
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(1-(tert-Butoxycarbonyl)-5-(((tert-butyldimethylsilyl)oxy)methyl)-1H-indol-2-yl)boronic acid

  • CAS No. 335649-84-8

  • Cat. No. CS-0002269
  • Molecule weight405.37
  • Purity≥97%
  • MDL No.MFCD11616326

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

(1-(tert-Butoxycarbonyl)-5-(((tert-butyldimethylsilyl)oxy)methyl)-1H-indol-2-yl)boronic acid|CS-0002269

Structure of 335649-84-8

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General Information

  • CAS No. 335649-84-8
  • Cat. No. CS-0002269
  • Purity ≥97%
  • MDL No. MFCD11616326
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₃₂BNO₅Si
  • Molecular Weight 405.37
  • Synonym(s) 1H-Indole-1-carboxylic acid, 2-borono-5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, 1,1-dimethylethyl ester
  • SMILES O=C(N1C(B(O)O)=CC2=C1C=CC(CO[Si](C)(C(C)(C)C)C)=C2)OC(C)(C)C

Synthesis

  • Route1
    • Tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate|CS-0770378
      335649-83-7
    • ~%
    • (1-(tert-Butoxycarbonyl)-5-(((tert-butyldimethylsilyl)oxy)methyl)-1H-indol-2-yl)boronic acid|CS-0002269
      335649-84-8

    References

    • VERNALIS (R and D) LTD Patent: WO2009/93012 A1, 2009 ; Location in patent: Page/Page column 66-67 ; WO 2009/093012 A1
  • Route2
    • Tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate|CS-0770378
      335649-83-7
    • null|null
      5419-55-6
    • ~%
    • (1-(tert-Butoxycarbonyl)-5-(((tert-butyldimethylsilyl)oxy)methyl)-1H-indol-2-yl)boronic acid|CS-0002269
      335649-84-8

    References

    • VERNALIS (R and D) LTD; STOKES, Stephen; FOLOPPE, Nicolas; FIUMANA, Andrea; DRYSDALE, Martin; BEDFORD, Simon; WEBB, Paul Patent: WO2011/10083 A1, 2011 ; Location in patent: Page/Page column 20; 28; 29 ; WO 2011/010083 A1
  • Route3

    References

    • VERNALIS (R and D) LTD; STOKES, Stephen; FOLOPPE, Nicolas; FIUMANA, Andrea; DRYSDALE, Martin; BEDFORD, Simon; WEBB, Paul Patent: WO2011/10083 A1, 2011 ; WO 2011/010083 A1

Safety Information

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Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   80.92
  • LogP   3.6261
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   4

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