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CS-W001157 4
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Methyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate

  • CAS No. 408356-39-8

  • Cat. No. CS-0465471
  • Molecule weight221.18
  • Purity≥98%
  • MDL No.MFCD08445356

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

Methyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate|CS-0465471

Structure of 408356-39-8

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General Information

  • CAS No. 408356-39-8
  • Cat. No. CS-0465471
  • Purity ≥98%
  • MDL No. MFCD08445356
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈FNO₃
  • Molecular Weight 221.18
  • Synonym(s) Methyl 2-(5-Fluoro-1H-indol-3-yl)oxoacetate
  • SMILES COC(=O)C(=O)C1=CNC2=C1C=C(C=C2)F

Synthesis

  • Route1

    References

    • Engler, Thomas Albert; Furness, Kelly Wayne; Malhotra, Sushant; Briggs, Stephen Lyle; Brooks, Harold Burns; Clawson, David Keyes; Sanchez-Martinez, Concepcion; Zhang, Faming; Zhu, Guoxin Patent: US2004/48915 A1, 2004 ;
  • Route2
    • null|null
      124-41-4
    • null|null
      3828-09-9
    • ~%
    • Methyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate|CS-0465471
      408356-39-8

    References

    • Engler, Thomas A.; Furness, Kelly; Malhotra, Sushant; Sanchez-Martinez, Concha; Shih, Chuan; Xie, Walter; Zhu, Guoxin; Zhou, Xun; Conner, Scott; Faul, Margaret M.; Sullivan, Kevin A.; Kolis, Stanley P.; Brooks, Harold B.; Patel, Bharvin; Schultz, Richard M.; DeHahn, Tammy B.; Kirmani, Kashif; Spencer, Charles D.; Watkins, Scott A.; Considine, Eileen L.; Dempsey, Jack A.; Ogg, Catherine A.; Stamm, Nancy B.; Anderson, Bryan D.; Campbell, Robert M.; Vasudevan, Vasu; Lytle, Michelle L. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 14 p. 2261 - 2267
  • Route3

    References

    • Engler, Thomas A.; Furness, Kelly; Malhotra, Sushant; Sanchez-Martinez, Concha; Shih, Chuan; Xie, Walter; Zhu, Guoxin; Zhou, Xun; Conner, Scott; Faul, Margaret M.; Sullivan, Kevin A.; Kolis, Stanley P.; Brooks, Harold B.; Patel, Bharvin; Schultz, Richard M.; DeHahn, Tammy B.; Kirmani, Kashif; Spencer, Charles D.; Watkins, Scott A.; Considine, Eileen L.; Dempsey, Jack A.; Ogg, Catherine A.; Stamm, Nancy B.; Anderson, Bryan D.; Campbell, Robert M.; Vasudevan, Vasu; Lytle, Michelle L. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 14 p. 2261 - 2267

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   59.16
  • LogP   1.6627
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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