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Ethyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetate

  • CAS No. 3446-72-8

  • Cat. No. CS-0197168
  • Purity≥97%
  • MDL No.None

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

Ethyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetate|CS-0197168

Structure of 3446-72-8

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General Information

  • CAS No. 3446-72-8
  • Cat. No. CS-0197168
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄ClNO₂
  • Molecular Weight 251.71
  • Synonym(s) 5-chloro-2-methyl-1H-indole-3-acetic acid ethyl ester
  • SMILES CCOC(=O)CC1=C(C)NC2=C1C=C(C=C2)Cl

Synthesis

  • Route1

    References

    • McKew, John C.; Foley, Megan A.; Thakker, Paresh; Behnke, Mark L.; Lovering, Frank E.; Sum, Fuk-Wah; Tam, Steve; Wu, Kun; Shen, Marina W. H.; Zhang, Wen; Gonzalez, Mario; Liu, Shanghao; Mahadevan, Anu; Sard, Howard; Khor, Soo Peang; Clark, James D. Journal of Medicinal Chemistry, 2006 , vol. 49, # 1 p. 135 - 158
  • Route2

    References

    • Menciu, Cecilia; Duflos, Muriel; Fouchard, Fabienne; Le Baut, Guillaume; Emig, Peter; Achterrath, Ute; Szelenyi, Istvan; Nickel, Bernd; Schmidt, Juergen; Kutscher, Bernhard; Guenther, Eckhardt Journal of Medicinal Chemistry, 1999 , vol. 42, # 4 p. 638 - 648
  • Route3
    • 5-Chloro-2-methyl-1H-indole-3-carbaldehyde|CS-0153487
      57335-86-1
    • ~%
    • Ethyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetate|CS-0197168
      3446-72-8

    References

    • Garuti; Giovanninetti; Bova; Chiarini Archiv der Pharmazie, 1988 , vol. 321, # 7 p. 377 - 383

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   3.23532
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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