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(1-(tert-Butoxycarbonyl)-6-methyl-1H-indol-2-yl)boronic acid

  • CAS No. 850568-51-3

  • Cat. No. CS-0002252
  • Molecule weight275.11
  • Purity≥97%
  • MDL No.MFCD04973738

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

(1-(tert-Butoxycarbonyl)-6-methyl-1H-indol-2-yl)boronic acid|CS-0002252

Structure of 850568-51-3

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General Information

  • CAS No. 850568-51-3
  • Cat. No. CS-0002252
  • Purity ≥97%
  • MDL No. MFCD04973738
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈BNO₄
  • Molecular Weight 275.11
  • Synonym(s) 1-BOC-6-methylindole-2-boronic acid
  • SMILES O=C(OC(C)(C)C)N1C(B(O)O)=CC(C=C2)=C1C=C2C

Synthesis

  • Route1
    • 1,1-Dimethylethyl-6-methyl-1H-indole-1-carboxylate|CS-0211335
      127956-24-5
    • ~%
    • (1-(tert-Butoxycarbonyl)-6-methyl-1H-indol-2-yl)boronic acid|CS-0002252
      850568-51-3

    References

    • Journal of Medicinal Chemistry, , vol. 57, # 5 p. 2121 - 2135
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 57, # 5 p. 2121 - 2135
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 57, # 5 p. 2121 - 2135

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.69
  • LogP   1.41272
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   1

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