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CS-W001157 4
Total: USD 88.00

5-Chloro-4-fluoro-1h-indole-2-carboxylicacid

  • CAS No. 186446-26-4

  • Cat. No. CS-0171482
  • Molecule weight213.59
  • Purity≥98%
  • MDL No.None

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

5-Chloro-4-fluoro-1h-indole-2-carboxylicacid|CS-0171482

Structure of 186446-26-4

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General Information

  • CAS No. 186446-26-4
  • Cat. No. CS-0171482
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅ClFNO₂
  • Molecular Weight 213.59
  • Synonym(s) 5-Chloro-4-fluoro-1H-indole-2-carboxylic acid
  • SMILES C1=CC2=C(C=C(C(=O)O)N2)C(=C1Cl)F

Synthesis

  • Route1
    • Pyruvic acid, ≥97%|CS-1268663
      127-17-3
    • ~94%
    • In-stock
      5-Chloro-4-fluoro-1h-indole-2-carboxylicacid|CS-0171482
      186446-26-4

    References

    • IDENIX PHARMACEUTICALS, INC. Patent: WO2008/42240 A2, 2008 ; Location in patent: Page/Page column 112; 115-116 ;
  • Route2
    • Methyl 5-chloro-4-fluoro-1H-indole-2-carboxylate|CS-0197245
      480450-89-3
    • ~92%
    • In-stock
      5-Chloro-4-fluoro-1h-indole-2-carboxylicacid|CS-0171482
      186446-26-4

    References

    • Yoshikawa, Kenji; Yokomizo, Aki; Naito, Hiroyuki; Haginoya, Noriyasu; Kobayashi, Shozo; Yoshino, Toshiharu; Nagata, Tsutomu; Mochizuki, Akiyoshi; Osanai, Ken; Watanabe, Kengo; Kanno, Hideyuki; Ohta, Toshiharu Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 24 p. 8206 - 8220
  • Route3
    • In-stock
      4-Chloro-3-fluoro-2-iodoaniline|CS-W003897
      1018450-37-7
    • Pyruvic acid, ≥97%|CS-1268663
      127-17-3
    • ~96%
    • In-stock
      5-Chloro-4-fluoro-1h-indole-2-carboxylicacid|CS-0171482
      186446-26-4

    References

    • Mayes, Benjamin A.; Chaudhuri, Narayan C.; Hencken, Christopher P.; Jeannot, Frederic; Latham, G. Mark; Mathieu, Steven; Mcgarry, F. Patrick; Stewart, Alistair J.; Wang, Jingyang; Moussa, Adel Organic Process Research and Development, 2010 , vol. 14, # 5 p. 1248 - 1253

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   53.09
  • LogP   2.6586
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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