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CS-W001157 4
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8-Oxo-5,6,7,8-tetrahydro-naphthalene-2-carbonitrile

  • CAS No. 776328-39-3

  • Cat. No. CS-0341486
  • Purity≥97%
  • MDL No.None

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

8-Oxo-5,6,7,8-tetrahydro-naphthalene-2-carbonitrile|CS-0341486

Structure of 776328-39-3

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General Information

  • CAS No. 776328-39-3
  • Cat. No. CS-0341486
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO
  • Molecular Weight 171.20
  • Synonym(s) 8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
  • SMILES C1CC2=C(C=C(C=C2)C#N)C(=O)C1

Synthesis

  • Route1
    • null|null
      151-50-8
    • null|null
      144464-65-3
    • ~69%
    • 8-Oxo-5,6,7,8-tetrahydro-naphthalene-2-carbonitrile|CS-0341486
      776328-39-3

    References

    • Ulmschneider, Sarah; Mueller-Vieira, Ursula; Mitrenga, Markus; Hartmann, Rolf W.; Oberwinkler-Marchais, Sandrine; Klein, Christian D.; Bureik, Matthias; Bernhardt, Rita; Antes, Iris; Lengauer, Thomas Journal of Medicinal Chemistry, 2005 , vol. 48, # 6 p. 1796 - 1805
  • Route2

    References

    • BARBOSA, Joseph; CARSON, Kenneth Gordon; GARDYAN, Michael Walter; HEALY, Jason Patrick; HAN, Qiang; MABON, Ross; PABBA, Praveen; TARVER, JR., James; TERRANOVA, Kristen M.; TUNOORI, Ashok; XU, Xiaolian Patent: US2012/302562 A1, 2012 ; US 20120302562 A1
  • Route3
    • 7-Methoxy-1-tetralone Agomelatine Impurity|CS-0214044
      6836-19-7
    • ~%
    • 8-Oxo-5,6,7,8-tetrahydro-naphthalene-2-carbonitrile|CS-0341486
      776328-39-3

    References

    • BARBOSA, Joseph; CARSON, Kenneth Gordon; GARDYAN, Michael Walter; HEALY, Jason Patrick; HAN, Qiang; MABON, Ross; PABBA, Praveen; TARVER, JR., James; TERRANOVA, Kristen M.; TUNOORI, Ashok; XU, Xiaolian Patent: US2012/302562 A1, 2012 ; US 20120302562 A1

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-H412
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.07728
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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