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CS-W001157 4
Total: USD 88.00

2-Amino-4-(benzyloxy)-5-methoxybenzonitrile

  • CAS No. 385785-02-4

  • Cat. No. CS-0022486
  • Purity≥95%
  • MDL No.MFCD08234438

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

2-Amino-4-(benzyloxy)-5-methoxybenzonitrile|CS-0022486

Structure of 385785-02-4

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General Information

  • CAS No. 385785-02-4
  • Cat. No. CS-0022486
  • Purity ≥95%
  • MDL No. MFCD08234438
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₄N₂O₂
  • Molecular Weight 254.28
  • Synonym(s) 2-cyano-5-benzyloxy-4-methoxyaniline
  • SMILES N#CC1=CC(OC)=C(OCC2=CC=CC=C2)C=C1N

Synthesis

  • Route1
    • null|null
      385784-84-9
    • ~99%
    • 2-Amino-4-(benzyloxy)-5-methoxybenzonitrile|CS-0022486
      385785-02-4

    References

    • AstraZeneca AB Patent: US2003/187002 A1, 2003 ; US 20030187002 A1
  • Route2
    • 4-(Benzyloxy)-3-methoxybenzonitrile|CS-0317668
      52805-34-2
    • ~%
    • 2-Amino-4-(benzyloxy)-5-methoxybenzonitrile|CS-0022486
      385785-02-4

    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
  • Route3

    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

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   68.27
  • LogP   2.72808
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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