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CS-W001157 4
Total: USD 88.00

3,4,5-Trimethoxybenzonitrile

  • CAS No. 1885-35-4

  • Cat. No. CS-W015775
  • Purity≥98%
  • MDL No.MFCD00001803

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

3,4,5-Trimethoxybenzonitrile|CS-W015775

Structure of 1885-35-4

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General Information

  • CAS No. 1885-35-4
  • Cat. No. CS-W015775
  • Purity ≥98%
  • MDL No. MFCD00001803
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₃
  • Molecular Weight 193.20
  • Synonym(s) NSC 4089243,4,5-Trimethoxy benzonitrile
  • SMILES N#CC1=CC(OC)=C(OC)C(OC)=C1

Description

3,4,5-Trimethoxybenzonitrile features a highly electron-rich aromatic core stabilized by three methoxy groups, enabling efficient coupling in cross-coupling reactions. The nitrile functionality provides a handle for downstream transformations, while the trimethoxy substitution enhances solubility and stability under standard conditions.

Application

3,4,5-Trimethoxybenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering enhanced solubility and metabolic stability through its three methoxy groups. The nitrile functionality enables straightforward transformations into carboxylic acids, amides, or amines via standard hydrolysis or reduction protocols. Its bench-stable nature and compatibility with common coupling reactions make it a practical choice for constructing complex heterocyclic scaffolds and functionalized aromatic systems.

Synthesis

  • Route1

    References

    • Isobe, Toshio; Ishikawa, Tsutomu Journal of Organic Chemistry, 1999 , vol. 64, # 19 p. 6984 - 6988
  • Route2
    • N,3,4,5-Tetramethoxy-N-methylbenzamide|CS-0122997
      118779-14-9
    • ~77%
    • In-stock
      3,4,5-Trimethoxybenzonitrile|CS-W015775
      1885-35-4

    References

    • Suzuki, Yusuke; Yoshino, Takumi; Moriyama, Katsuhiko; Togo, Hideo Tetrahedron, 2011 , vol. 67, # 21 p. 3809 - 3814
  • Route3

    References

    • Chakraborti; Kaur; Roy Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001 , vol. 40, # 10 p. 1000 - 1006

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   51.48
  • LogP   1.58408
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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