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CS-W001157 4
Total: USD 88.00

3,4-Dimethoxybenzonitrile

  • CAS No. 2024-83-1

  • Cat. No. CS-0000029
  • Purity≥97%
  • MDL No.MFCD00001802

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

3,4-Dimethoxybenzonitrile|CS-0000029

Structure of 2024-83-1

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General Information

  • CAS No. 2024-83-1
  • Cat. No. CS-0000029
  • Purity ≥97%
  • MDL No. MFCD00001802
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) 4-Cyanoveratrole
  • SMILES N#CC1=CC=C(C(OC)=C1)OC

Description

3,4-Dimethoxybenzonitrile features a benzene ring bearing two methoxy groups at the 3- and 4-positions and a nitrile group at the 1-position. This electron-rich scaffold delivers enhanced solubility and stability under standard conditions, enabling efficient integration into synthetic routes for pharmaceutical intermediates and functional materials.

Application

3,4-Dimethoxybenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to functionalized aromatic scaffolds. Its dual methoxy groups provide enhanced solubility and electronic modulation, while the nitrile functionality facilitates downstream transformations including hydrolysis to carboxylic acids, reduction to primary amines, or participation in heterocycle formation. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it well-suited for high-throughput screening campaigns and process-scale applications.

Synthesis

  • Route1

    References

    • Dewan, Sharwan K.; Singh, Ravinder Synthetic Communications, 2003 , vol. 33, # 17 p. 3085 - 3088
  • Route2

    References

    • Capdevielle, Patrice; Lavigne, Andre; Maumy, Michel Synthesis, 1989 , # 6 p. 453 - 454
  • Route3
    • In-stock
      4-Bromo-1,2-dimethoxybenzene|CS-W007396
      2859-78-1
    • null|null
      143-33-9
    • ~91%
    • In-stock
      3,4-Dimethoxybenzonitrile|CS-0000029
      2024-83-1

    References

    • MASSACHUSETTS INSTITUTE OF TECHNOLOGY Patent: WO2004/13094 A2, 2004 ; Location in patent: Page 53-54; 91-92 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P264-P270-P330-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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