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CS-W001157 4
Total: USD 88.00

Methyl 4-(1H-indol-2-yl)butanoate

  • CAS No. 28093-53-0

  • Cat. No. CS-0570086
  • Molecule weight217.26
  • Purity≥98%
  • MDL No.None

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

Methyl 4-(1H-indol-2-yl)butanoate|CS-0570086

Structure of 28093-53-0

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General Information

  • CAS No. 28093-53-0
  • Cat. No. CS-0570086
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅NO₂
  • Molecular Weight 217.26
  • Synonym(s) 1H-Indole-2-butanoic acid,methyl ester
  • SMILES COC(=O)CCCC1=CC2=CC=CC=C2N1

Synthesis

  • Route1

    References

    • Djakovitch, Laurent; Dufaud, Veronique; Zaidi, Rabah Advanced Synthesis and Catalysis, 2006 , vol. 348, # 6 p. 715 - 724
  • Route2
    • null|null
      1172640-24-2
    • ~97%
    • Methyl 4-(1H-indol-2-yl)butanoate|CS-0570086
      28093-53-0

    References

    • Bunce, Richard A.; Nammalwar, Baskar Journal of Heterocyclic Chemistry, 2009 , vol. 46, # 2 p. 172 - 177
  • Route3
    • Indole, ≥99%|CS-1268948
      120-72-9
    • In-stock
      Br-C3-methyl ester|CS-W004701
      4897-84-1
    • ~59%
    • null|null
      1318759-55-5
    • Methyl 4-(1H-indol-2-yl)butanoate|CS-0570086
      28093-53-0

    References

    • Jiao, Lei; Bach, Thorsten Journal of the American Chemical Society, 2011 , vol. 133, # 33 p. 12990 - 12993

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

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   2.6636
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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