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Methyl 2-(5-bromo-1H-indol-3-yl)acetate

  • CAS No. 117235-22-0

  • Cat. No. CS-0377160
  • Purity≥98%
  • MDL No.MFCD12963546

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

Methyl 2-(5-bromo-1H-indol-3-yl)acetate|CS-0377160

Structure of 117235-22-0

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General Information

  • CAS No. 117235-22-0
  • Cat. No. CS-0377160
  • Purity ≥98%
  • MDL No. MFCD12963546
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀BrNO₂
  • Molecular Weight 268.11
  • Synonym(s) Methyl 5-Bromoindole-3-acetate
  • SMILES O=C(OC)CC1=CNC2=C1C=C(Br)C=C2

Synthesis

  • Route1

    References

    • Soto, Sara; Vaz, Esther; Dell'Aversana, Carmela; Alvarez, Rosana; Altucci, Lucia; De Lera, Angel R. Organic and Biomolecular Chemistry, 2012 , vol. 10, # 10 p. 2101 - 2112
  • Route2

    References

    • ELI LILLY AND COMPANY Patent: WO2007/92751 A2, 2007 ; Location in patent: Page/Page column 14 ;
  • Route3

    References

    • Soto, Sara; Vaz, Esther; Dell'Aversana, Carmela; Alvarez, Rosana; Altucci, Lucia; De Lera, Angel R. Organic and Biomolecular Chemistry, 2012 , vol. 10, # 10 p. 2101 - 2112

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

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   2.6459
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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