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CS-W001157 4
Total: USD 88.00

4-(((2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)amino)benzonitrile

  • CAS No. 219763-81-2

  • Cat. No. CS-0130733
  • Purity95+%
  • MDL No.None

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

4-(((2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)amino)benzonitrile|CS-0130733

Structure of 219763-81-2

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General Information

  • CAS No. 219763-81-2
  • Cat. No. CS-0130733
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂N₂O₄
  • Molecular Weight 272.26
  • Synonym(s) None
  • SMILES N#CC1=CC=C(N/C=C2C(OC(C)(C)OC/2=O)=O)C=C1

Synthesis

  • Route1

    References

    • GLAXO GROUP LIMITED Patent: WO2007/16610 A2, 2007 ; Location in patent: Page/Page column 32 ;
  • Route2

    References

    • GLAXO GROUP LIMITED Patent: WO2004/2490 A2, 2004 ; Location in patent: Page/Page column 39 ;
  • Route3

    References

    • Hill, Lawrence; Imam, S. Haider; McNab, Hamish; O'Neill, William J. Synlett, 2009 , # 11 p. 1847 - 1851

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   88.42
  • LogP   1.69018
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   2

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