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CS-W001157 4
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Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate

  • CAS No. 7272-58-4

  • Cat. No. CS-0222081
  • Purity95+%
  • MDL No.None

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

Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate|CS-0222081

Structure of 7272-58-4

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General Information

  • CAS No. 7272-58-4
  • Cat. No. CS-0222081
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₃
  • Molecular Weight 221.25
  • Synonym(s) 4,5,6,7-tetrahydro-3-methyl-4-oxo-indole-2-carboxylicaciethylester
  • SMILES CCOC(=O)C1=C(C)C2=C(CCCC2=O)N1

Synthesis

  • Route1

    References

    • Elliott, Luke D.; Berry, Malcolm; Orr-Ewing, Andrew J.; Booker-Milburn, Kevin I. Journal of the American Chemical Society, 2007 , vol. 129, # 11 p. 3078 - 3079
  • Route2

    References

    • Barraja, Paola; Diana, Patrizia; Montalbano, Alessandra; Carbone, Anna; Cirrincione, Girolamo; Viola, Giampietro; Salvador, Alessia; Vedaldi, Daniela; Dall'Acqua, Francesco Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 22 p. 9668 - 9683
  • Route3

    References

    • Elghamry, Ibrahim Synthetic Communications, 2002 , vol. 32, # 6 p. 897 - 902

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   59.16
  • LogP   2.01882
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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