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CS-W001157 4
Total: USD 88.00

6,7-Dihydroisoquinolin-8(5H)-one

  • CAS No. 21917-88-4

  • Cat. No. CS-0171574
  • Purity≥98%
  • MDL No.None

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

6,7-Dihydroisoquinolin-8(5H)-one|CS-0171574

Structure of 21917-88-4

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General Information

  • CAS No. 21917-88-4
  • Cat. No. CS-0171574
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO
  • Molecular Weight 147.17
  • Synonym(s) 8(5H)-Isoquinolinone, 6,7-dihydro-
  • SMILES C1CC2=CC=NC=C2C(=O)C1

Synthesis

  • Route1

    References

    • Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 1 p. 31 - 35
  • Route2

    References

    • Kumar, R. Arun; Maheswari, C. Uma; Ghantasala, Satheesh; Jyothi; Reddy, K. Rajender Advanced Synthesis and Catalysis, 2011 , vol. 353, # 2-3 p. 401 - 410
  • Route3
    • Methyl 8-oxo-5,6,7,8-tetrahydroisoquinoline-7-carboxylate|CS-0726828
      151330-02-8
    • ~56%
    • 6,7-Dihydroisoquinolin-8(5H)-one|CS-0171574
      21917-88-4

    References

    • Glassco; Suchocki; George; Martin; May Journal of Medicinal Chemistry, 1993 , vol. 36, # 22 p. 3381 - 3385

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

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   1.6006
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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