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CS-W001157 4
Total: USD 88.00

4-Cyano-N-methoxy-N-methylbenzamide

  • CAS No. 116332-64-0

  • Cat. No. CS-0187000
  • Purity≥98%
  • MDL No.None

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

4-Cyano-N-methoxy-N-methylbenzamide|CS-0187000

Structure of 116332-64-0

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General Information

  • CAS No. 116332-64-0
  • Cat. No. CS-0187000
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₂
  • Molecular Weight 190.20
  • Synonym(s) 4-Cyano-N-methoxy-N-methyl-benzamide
  • SMILES CN(C(=O)C1=CC=C(C=C1)C#N)OC

Synthesis

  • Route1

    References

    • Jurutka, Peter W.; Kaneko, Ichiro; Yang, Joanna; Bhogal, Jaskaran S.; Swierski, Johnathon C.; Tabacaru, Christa R.; Montano, Luis A.; Huynh, Chanh C.; Jama, Rabia A.; Mahelona, Ryan D.; Sarnowski, Joseph T.; Marcus, Lisa M.; Quezada, Alexis; Lemming, Brittney; Tedesco, Maria A.; Fischer, Audra J.; Mohamed, Said A.; Ziller, Joseph W.; Ma, Ning; Gray, Geoffrey M.; Van Der Vaart, Arjan; Marshall, Pamela A.; Wagner, Carl E. Journal of Medicinal Chemistry, 2013 , vol. 56, # 21 p. 8432 - 8454
  • Route2

    References

    • Martinelli, Joseph R.; Watson, Donald A.; Freckmann, Dominique M. M.; Barder, Timothy E.; Buchwald, Stephen L. Journal of Organic Chemistry, 2008 , vol. 73, # 18 p. 7102 - 7107
  • Route3
    • null|null
      619-65-8
    • null|null
      1117-97-1
    • ~96%
    • In-stock
      4-Cyano-N-methoxy-N-methylbenzamide|CS-0187000
      116332-64-0

    References

    • ENVIVO PHARMACEUTICALS, INC. Patent: WO2009/158393 A1, 2009 ; Location in patent: Page/Page column 96-97 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   53.33
  • LogP   1.19168
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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