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tert-Butyl 5-bromo-3-formyl-1H-indole-1-carboxylate

  • CAS No. 325800-39-3

  • Cat. No. CS-0154794
  • Purity≥95%
  • MDL No.MFCD05864691

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

tert-Butyl 5-bromo-3-formyl-1H-indole-1-carboxylate|CS-0154794

Structure of 325800-39-3

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General Information

  • CAS No. 325800-39-3
  • Cat. No. CS-0154794
  • Purity ≥95%
  • MDL No. MFCD05864691
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₄BrNO₃
  • Molecular Weight 324.17
  • Synonym(s) 5-BROMO-3-FORMYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
  • SMILES CC(C)(C)OC(=O)N1C=C(C=O)C2=C1C=CC(=C2)Br

Synthesis

  • Route1

    References

    • Wang, Wei; Xiong, Chiyi; Zhang, Junyi; Hruby, Victor J Tetrahedron, 2002 , vol. 58, # 15 p. 3101 - 3110

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 : 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   48.3
  • LogP   3.9995
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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