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tert-Butyl 5-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylate

  • CAS No. 905710-14-7

  • Cat. No. CS-0187815
  • Molecule weight326.19
  • Purity≥95%
  • MDL No.None

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

tert-Butyl 5-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylate|CS-0187815

Structure of 905710-14-7

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General Information

  • CAS No. 905710-14-7
  • Cat. No. CS-0187815
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆BrNO₃
  • Molecular Weight 326.19
  • Synonym(s) 1-Boc-5-Bromo-3-hydroxymethylindole
  • SMILES CC(C)(C)OC(=O)N1C=C(CO)C2=C1C=CC(=C2)Br

Synthesis

  • Route1

    References

    • Hedley, Simon J.; Ventura, Dominic L.; Dominiak, Paulina M.; Nygren, Cara L.; Davies, Huw M. L. Journal of Organic Chemistry, 2006 , vol. 71, # 14 p. 5349 - 5356

Safety Information

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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

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Computational Chemistry Data

  • TPSA   51.46
  • LogP   3.6793
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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