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CS-W001157 4
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Methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate

  • CAS No. 7588-36-5

  • Cat. No. CS-0041770
  • Molecule weightNone
  • Purity≥95%
  • MDL No.MFCD00218549

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

Methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate|CS-0041770

Structure of 7588-36-5

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General Information

  • CAS No. 7588-36-5
  • Cat. No. CS-0041770
  • Purity ≥95%
  • MDL No. MFCD00218549
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅NO₃
  • Molecular Weight None
  • Synonym(s) methyl 5-methoxy-2-methyl-1H-indole-3-acetate
  • SMILES O=C(OC)CC1=C(C)NC2=C1C=C(OC)C=C2

Description

Methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate integrates a methoxy-substituted indole core with a pendant ester-functionalized side chain. This bench-stable scaffold enables direct incorporation into diverse synthetic routes, particularly for bioactive molecule development. The electron-rich indole moiety pairs effectively with the ester group to facilitate downstream transformations under standard conditions.

Synthesis

  • Route1
    • null|null
      67-56-1
    • 5-Methoxy-2-methyl-3-indoleacetic acid Indomethacin Impurity|CS-0229770
      2882-15-7
    • ~97%
    • In-stock
      Methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate|CS-0041770
      7588-36-5

    References

    • Liedtke, Andy J.; Marnett, Lawrence J.; Kim, Kwangho; Stec, Donald F.; Sulikowski, Gary A. Tetrahedron, 2012 , vol. 68, # 48 p. 10049 - 10058,10 Title/Abstract Show Details Liedtke, Andy J.; Kim, Kwangho; Stec, Donald F.; Sulikowski, Gary A.; Marnett, Lawrence J. Tetrahedron, 2012 , vol. 68, # 48 p. 10049 - 10058
  • Route2
    • 5-Methoxy-2-methyl-3-indoleacetic acid Indomethacin Impurity|CS-0229770
      2882-15-7
    • ~%
    • In-stock
      Methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate|CS-0041770
      7588-36-5

    References

    • Eli Lilly and Company Patent: US5578634 A1, 1996 ; US 5578634 A
  • Route3

    References

    • Bitonti; Alan J.; McDonald; Ian A.; Salituro; Francesco G.; Whitten; Jeffrey P.; Jarvi; Esa T.; Wright; Paul S. Patent: US5877202 A1, 1999 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   51.32
  • LogP   2.20042
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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