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

  • CAS No. 17536-38-8

  • Cat. No. CS-0492166
  • Molecule weight247.29
  • Purity≥98%
  • MDL No.None

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

Ethyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate|CS-0492166

Structure of 17536-38-8

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General Information

  • CAS No. 17536-38-8
  • Cat. No. CS-0492166
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₇NO₃
  • Molecular Weight 247.29
  • Synonym(s) (5-methoxy-2-methyl-1h-indol-3-yl)acetic acid ethyl ester
  • SMILES CCOC(=O)CC1C2C(=CC=C(OC)C=2)NC=1C

Synthesis

  • Route1

    References

    • NITROMED, INC. Patent: WO2006/99416 A1, 2006 ; Location in patent: Page/Page column 98 ; WO 2006/099416 A1
  • Route2

    References

    • Gong, Tian-Jun; Cheng, Wan-Min; Su, Wei; Xiao, Bin; Fu, Yao Tetrahedron Letters, 2014 , vol. 55, # 11 p. 1859 - 1862
  • Route3

    References

    • Eli Lilly and Company Patent: US5684034 A1, 1997 ; US 5684034 A

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   51.32
  • LogP   2.59052
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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