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CS-W001157 4
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7-Methoxy-naphthalene-1-carbonitrile

  • CAS No. 158365-54-9

  • Cat. No. CS-0341692
  • Molecule weight183.21
  • Purity≥97%
  • MDL No.None

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

7-Methoxy-naphthalene-1-carbonitrile|CS-0341692

Structure of 158365-54-9

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General Information

  • CAS No. 158365-54-9
  • Cat. No. CS-0341692
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉NO
  • Molecular Weight 183.21
  • Synonym(s) 7-Methoxynaphthalene-1-carbonitrile
  • SMILES COC1=CC2=C(C=CC=C2C#N)C=C1

Synthesis

  • Route1
    • null|null
      7677-24-9
    • 7-Methoxy-1-tetralone Agomelatine Impurity|CS-0214044
      6836-19-7
    • ~79%
    • 7-Methoxy-naphthalene-1-carbonitrile|CS-0341692
      158365-54-9

    References

    • Hartmann, Rolf; Frotscher, Martin; Oberwinkler, Sandrine; Ziegler, Erika; Messinger, Josef; Thole, Heinrich-Hubert Patent: US2010/204234 A1, 2010 ; Location in patent: Page/Page column 14 ; US 20100204234 A1
  • Route2
    • Agomelatine Impurity 71|CS-1001731
      158365-53-8
    • ~60%
    • 7-Methoxy-naphthalene-1-carbonitrile|CS-0341692
      158365-54-9

    References

    • Hayashi, Takashi; Miyahara, Takashi; Aoyama, Yasunori; Nonoguchi, Masanori; Ogoshi, Hisanobu Chemistry Letters, 1994 , # 9 p. 1749 - 1752
  • Route3
    • 7-Methoxy-1-tetralone Agomelatine Impurity|CS-0214044
      6836-19-7
    • ~%
    • 7-Methoxy-naphthalene-1-carbonitrile|CS-0341692
      158365-54-9

    References

    • Hayashi, Takashi; Miyahara, Takashi; Aoyama, Yasunori; Nonoguchi, Masanori; Ogoshi, Hisanobu Chemistry Letters, 1994 , # 9 p. 1749 - 1752

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   33.02
  • LogP   2.72008
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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