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CS-W001157 4
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3,5-dimethoxybenzonitrile

  • CAS No. 19179-31-8

  • Cat. No. CS-W001927
  • Purity≥98%
  • MDL No.MFCD00001804

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

3,5-dimethoxybenzonitrile|CS-W001927

Structure of 19179-31-8

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General Information

  • CAS No. 19179-31-8
  • Cat. No. CS-W001927
  • Purity ≥98%
  • MDL No. MFCD00001804
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) Benzonitrile, 3,5-dimethoxy-
  • SMILES COc1cc(OC)cc(c1)C#N

Description

3,5-Dimethoxybenzonitrile features a benzonitrile core substituted with methoxy groups at the 3 and 5 positions, delivering enhanced solubility and stability. This electron-rich aromatic system enables efficient coupling reactions and serves as a robust building block in medicinal chemistry and materials synthesis.

Application

3,5-Dimethoxybenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted aromatic scaffolds via cross-coupling and electrophilic functionalization. The nitrile group provides a handle for downstream transformations including hydrolysis to carboxylic acids or reduction to primary amines, while the two methoxy groups offer orthogonal reactivity and enhanced solubility. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for medicinal chemistry lead optimization and process development workflows.

Synthesis

  • Route1

    References

    • Capdevielle, Patrice; Lavigne, Andre; Maumy, Michel Synthesis, 1989 , # 6 p. 451 - 452
  • Route2
    • null|null
      557-21-1
    • null|null
      128612-44-2
    • ~95%
    • In-stock
      3,5-dimethoxybenzonitrile|CS-W001927
      19179-31-8

    References

    • Srivastava, Rajiv R.; Zych, Andrew J.; Jenkins, David M.; Wang, Hong-Jun; Chen, Zhen-Jia; Fairfax, David J. Synthetic Communications, 2007 , vol. 37, # 3 p. 431 - 438
  • Route3
    • null|null
      1428345-71-4
    • null|null
      68-12-2
    • ~84%
    • In-stock
      3,5-dimethoxybenzonitrile|CS-W001927
      19179-31-8

    References

    • Wang, Zhen; Chang, Sukbok Organic Letters, 2013 , vol. 15, # 8 p. 1990 - 1993

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+H312+H332-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   1.57548
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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