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CS-W001157 4
Total: USD 88.00

(3-Formylindol-1-yl)acetic acid

  • CAS No. 138423-98-0

  • Cat. No. CS-W015464
  • Molecule weight203.20
  • Purity≥97%
  • MDL No.MFCD00452923

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

(3-Formylindol-1-yl)acetic acid|CS-W015464

Structure of 138423-98-0

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General Information

  • CAS No. 138423-98-0
  • Cat. No. CS-W015464
  • Purity ≥97%
  • MDL No. MFCD00452923
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₃
  • Molecular Weight 203.20
  • Synonym(s) 3-Formylindole-N-acetic acid
  • SMILES O=C(O)CN1C=C(C=O)C2=C1C=CC=C2

Synthesis

  • Route1
    • Ethyl 2-(3-formyl-1H-indol-1-yl)acetate|CS-0313238
      27065-94-7
    • ~70%
    • In-stock
      (3-Formylindol-1-yl)acetic acid|CS-W015464
      138423-98-0

    References

    • NOVO NORDISK A/S Patent: WO2004/80480 A1, 2004 ; Location in patent: Page/Page column 226 ;
  • Route2
    • tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate|CS-0232424
      363590-49-2
    • ~89%
    • In-stock
      (3-Formylindol-1-yl)acetic acid|CS-W015464
      138423-98-0

    References

    • Costi, Roberta; Cuzzucoli Crucitti, Giuliana; Pescatori, Luca; Messore, Antonella; Scipione, Luigi; Tortorella, Silvano; Amoroso, Alessandra; Crespan, Emmanuele; Campiglia, Pietro; Maresca, Bruno; Porta, Amalia; Granata, Ilaria; Novellino, Ettore; Gouge, Jeroime; Delarue, Marc; Maga, Giovanni; Di Santo, Roberto Journal of Medicinal Chemistry, 2013 , vol. 56, # 18 p. 7431 - 7441
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 63, # 16 p. 5300 - 5301

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   59.3
  • LogP   1.5384
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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