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CS-W001157 4
Total: USD 88.00

7-Fluoro-1,2,3,4-tetrahydroquinolin-4-one

  • CAS No. 114417-35-5

  • Cat. No. CS-0217637
  • Purity98+%
  • MDL No.None

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

7-Fluoro-1,2,3,4-tetrahydroquinolin-4-one|CS-0217637

Structure of 114417-35-5

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General Information

  • CAS No. 114417-35-5
  • Cat. No. CS-0217637
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈FNO
  • Molecular Weight 165.16
  • Synonym(s) 7-Fluoro-2,3-dihydroquinolin-4(1H)-one
  • SMILES O=C1CCNC2=C1C=CC(F)=C2

Synthesis

  • Route1
    • 1-(3-Fluorophenyl)azetidin-2-one|CS-0484031
      1281991-43-2
    • ~%
    • 7-Fluoro-1,2,3,4-tetrahydroquinolin-4-one|CS-0217637
      114417-35-5

    References

    • Schmidt, Robert G.; Bayburt, Erol K.; Latshaw, Steven P.; Koenig, John R.; Daanen, Jerome F.; McDonald, Heath A.; Bianchi, Bruce R.; Zhong, Chengmin; Joshi, Shailen; Honore, Prisca; Marsh, Kennan C.; Lee, Chih-Hung; Faltynek, Connie R.; Gomtsyan, Arthur Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 5 p. 1338 - 1341
  • Route2

    References

    • Taisho Pharmaceutical Co. Ltd. Patent: EP2172453 A1, 2010 ; Location in patent: Page/Page column 9 ; EP 2172453 A1
  • Route3
    • null|null
      372-19-0
    • ~%
    • 7-Fluoro-1,2,3,4-tetrahydroquinolin-4-one|CS-0217637
      114417-35-5

    References

    • Schmidt, Robert G.; Bayburt, Erol K.; Latshaw, Steven P.; Koenig, John R.; Daanen, Jerome F.; McDonald, Heath A.; Bianchi, Bruce R.; Zhong, Chengmin; Joshi, Shailen; Honore, Prisca; Marsh, Kennan C.; Lee, Chih-Hung; Faltynek, Connie R.; Gomtsyan, Arthur Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 5 p. 1338 - 1341

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   1.824
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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