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CS-W001157 4
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Methyl 4-methyl-1H-indole-2-carboxylate

  • CAS No. 136831-13-5

  • Cat. No. CS-0054250
  • Purity≥98%
  • MDL No.None

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

Methyl 4-methyl-1H-indole-2-carboxylate|CS-0054250

Structure of 136831-13-5

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General Information

  • CAS No. 136831-13-5
  • Cat. No. CS-0054250
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) 4-Methyl-1H-indole-2-carboxylic acid methyl ester
  • SMILES COC(=O)C1=CC2=C(N1)C=CC=C2C

Synthesis

  • Route1

    References

    • Stokes, Benjamin J.; Dong, Huijun; Leslie, Brooke E.; Pumphrey, Ashley L.; Driver, Tom G. Journal of the American Chemical Society, 2007 , vol. 129, # 24 p. 7500 - 7501
  • Route2
    • null|null
      136831-12-4
    • ~68%
    • In-stock
      Methyl 4-methyl-1H-indole-2-carboxylate|CS-0054250
      136831-13-5

    References

    • Neagoie, Cleopatra; Vedrenne, Emeline; Buron, Frederic; Merour, Jean-Yves; Rosca, Sorin; Bourg, Stephane; Lozach, Olivier; Meijer, Laurent; Baldeyrou, Brigitte; Lansiaux, Amelie; Routier, Sylvain European Journal of Medicinal Chemistry, 2012 , vol. 49, p. 379 - 396
  • Route3
    • null|null
      67-56-1
    • In-stock
      4-Methyl-1H-indole-2-carboxylic acid|CS-W005497
      18474-57-2
    • ~%
    • In-stock
      Methyl 4-methyl-1H-indole-2-carboxylate|CS-0054250
      136831-13-5

    References

    • Nazare, Marc; Will, David W.; Matter, Hans; Schreuder, Herman; Ritter, Kurt; Urmann, Matthias; Essrich, Melanie; Bauer, Armin; Wagner, Michael; Czech, Joerg; Lorenz, Martin; Laux, Volker; Wehner, Volkmar Journal of Medicinal Chemistry, 2005 , vol. 48, # 14 p. 4511 - 4525

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   2.26292
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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