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CS-W001157 4
Total: USD 88.00

4-(Benzyloxy)-3-methoxybenzonitrile

  • CAS No. 52805-34-2

  • Cat. No. CS-0317668
  • Purity≥98%
  • MDL No.None

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

4-(Benzyloxy)-3-methoxybenzonitrile|CS-0317668

Structure of 52805-34-2

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General Information

  • CAS No. 52805-34-2
  • Cat. No. CS-0317668
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₃NO₂
  • Molecular Weight 239.27
  • Synonym(s) 4-Benzyloxy-3-methoxy-benzonitrile
  • SMILES COC1=C(C=CC(=C1)C#N)OCC2=CC=CC=C2

Synthesis

  • Route1

    References

    • Jung, Frederic H.; Pasquet, Georges; Lambert-Van Der Brempt, Christine; Lohmann, Jean-Jacques M.; Warin, Nicolas; Renaud, Fabrice; Germain, Herve; De Savi, Chris; Roberts, Nicola; Johnson, Trevor; Dousson, Cyril; Hill, George B.; Mortlock, Andrew A.; Heron, Nicola; Wilkinson, Robert W.; Wedge, Stephen R.; Heaton, Simon P.; Odedra, Rajesh; Keen, Nicholas J.; Green, Stephen; Brown, Elaine; Thompson, Katherine; Brightwell, Stephen Journal of Medicinal Chemistry, 2006 , vol. 49, # 3 p. 955 - 970
  • Route2

    References

    • Yura, Takeshi; Concepcion, Arnel b; Han, Gyoonhee; Marumo, Makiko; Yoshino, Hiroko; Kawamura, Norihiro; Kokubo, Toshio; Komura, Hiroshi; Li, Yingfu; LOwinger, Timothy B; Mogi, Muneto; Yamamoto, Noriyuki; Yoshida, Nagahiro; Miller, Scott; Popp, Margaret A; Redmann, Aniko M; Rodriguez, Martha E; Scott, William J; Wang, Ming Patent: US2004/54179 A1, 2004 ;
  • Route3

    References

    • Liu, Feng; Chen, Xin; Allali-Hassani, Abdellah; Quinn, Amy M.; Wasney, Gregory A.; Dong, Aiping; Barsyte, Dalia; Kozieradzki, Ivona; Senisterra, Guillermo; Chau, Irene; Siarheyeva, Alena; Kireev, Dmitri B.; Jadhav, Ajit; Herold, J. Martin; Frye, Stephen V.; Arrowsmith, Cheryl H.; Brown, Peter J.; Simeonov, Anton; Vedadi, Masoud; Jin, Jian Journal of Medicinal Chemistry, 2009 , vol. 52, # 24 p. 7950 - 7953

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   42.25
  • LogP   3.14588
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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