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CS-W001157 4
Total: USD 88.00

3-(3,4-Dimethoxyphenyl)propanenitrile

  • CAS No. 49621-56-9

  • Cat. No. CS-0305774
  • Purity≥97%
  • MDL No.None

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

3-(3,4-Dimethoxyphenyl)propanenitrile|CS-0305774

Structure of 49621-56-9

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General Information

  • CAS No. 49621-56-9
  • Cat. No. CS-0305774
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₂
  • Molecular Weight 191.23
  • Synonym(s) NSC 266052
  • SMILES N#CCCC1=CC=C(OC)C(OC)=C1

Synthesis

  • Route1
    • null|null
      37629-85-9
    • ~79%
    • 3-(3,4-Dimethoxyphenyl)propanenitrile|CS-0305774
      49621-56-9

    References

    • LES LABORATOIRES SERVIER; CARRANZA, Maria Del Pilar; GARCIA ARANDA, Maria Isabel; GONZALEZ, José Lorenzo; SANCHEZ, Frédéric Patent: US2014/128598 A1, 2014 ; Location in patent: Paragraph 0033-0035 ;
  • Route2
    • null|null
      120-20-7
    • ~70%
    • 3-(3,4-Dimethoxyphenyl)propanenitrile|CS-0305774
      49621-56-9

    References

    • Drouet, Fleur; Fontaine, Patrice; Masson, Geraldine; Zhu, Jieping Synthesis, 2009 , # 8 art. no. T19708SS, p. 1370 - 1374
  • Route3
    • 2-Cyano-3-(3,4-dimethoxyphenyl)propanoic acid|CS-0510644
      55502-61-9
    • ~89%
    • 3-(3,4-Dimethoxyphenyl)propanenitrile|CS-0305774
      49621-56-9

    References

    • Vincze, Zoltan; Biro, A. Beatrix; Csekei, Marton; Timari, Geza; Kotschy, Andras Synthesis, 2006 , # 8 p. 1375 - 1385

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

Quality Control

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Computational Chemistry Data

  • TPSA   42.25
  • LogP   2.15998
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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