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

  • CAS No. 914349-07-8

  • Cat. No. CS-0154788
  • Molecule weight292.29
  • Purity≥95%
  • MDL No.MFCD05864712

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

tert-Butyl 3-(hydroxymethyl)-5-nitro-1H-indole-1-carboxylate|CS-0154788

Structure of 914349-07-8

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General Information

  • CAS No. 914349-07-8
  • Cat. No. CS-0154788
  • Purity ≥95%
  • MDL No. MFCD05864712
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆N₂O₅
  • Molecular Weight 292.29
  • Synonym(s) tert-Butyl 3-(hydroxymethyl)-5-nitro-1H-indole-1-carboxylate, 1-(tert-Butoxycarbonyl)-3-(hydroxymethyl)-5-nitro-1H-indole
  • SMILES CC(C)(C)OC(=O)N1C=C(CO)C2=C1C=CC(=C2)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Shelke, Sachin V.; Cutting, Brian; Jiang, Xiaohua; Koliwer-Brandl, Hendrik; Strasser, Daniel S.; Schwardt, Oliver; Kelm, Soerge; Ernst, Beat Angewandte Chemie - International Edition, 2010 , vol. 49, # 33 p. 5721 - 5725

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   94.6
  • LogP   2.825
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   2

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