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CS-W001157 4
Total: USD 88.00

2-Methoxybenzonitrile

  • CAS No. 6609-56-9

  • Cat. No. CS-W007580
  • Purity≥98%
  • MDL No.MFCD00001783

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

2-Methoxybenzonitrile|CS-W007580

Structure of 6609-56-9

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General Information

  • CAS No. 6609-56-9
  • Cat. No. CS-W007580
  • Purity ≥98%
  • MDL No. MFCD00001783
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO
  • Molecular Weight 133.15
  • Synonym(s) o-Methoxybenzonitrile
  • SMILES C1=CC=CC(=C1C#N)OC

Description

2-Methoxybenzonitrile features a methoxy group ortho to a nitrile moiety on a benzene ring, delivering enhanced solubility and electronic modulation. This arrangement enables efficient incorporation into heterocyclic scaffolds and facilitates coupling reactions under mild conditions. The compound serves as a key intermediate in pharmaceutical synthesis and functional materials development.

Application

2-Methoxybenzonitrile serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to functionalized benzene derivatives. Its ortho-methoxy and nitrile groups offer complementary reactivity for downstream transformations, including nucleophilic additions, coupling reactions, and heterocycle formation. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for multi-step synthesis and process development workflows.

Synthesis

  • Route1
    • 2-Methoxybenzaldehyde oxime|CS-0316247
      29577-53-5
    • ~97%
    • In-stock
      2-Methoxybenzonitrile|CS-W007580
      6609-56-9

    References

    • Li, Dongmei; Shi, Feng; Guo, Shu; Deng, Youquan Tetrahedron Letters, 2005 , vol. 46, # 4 p. 671 - 674
  • Route2

    References

    • Venkatesan, Shanmuganathan; Kumar, Annamalai Senthil; Lee, Jyh-Fu; Chan, Ting-Shan; Zen, Jyh-Myng Chemistry - A European Journal, 2012 , vol. 18, # 20 p. 6147 - 6151
  • Route3

    References

    • Jasem, Yosef Al; Barkhad, Mohamed; Khazali, Mona Al; Butt, Hifsa Pervez; El-Khwass, Noha Ashraf; Azani, Mariam Al; Hindawi, Bassam Al; Thiemann, Thies Journal of Chemical Research, 2014 , vol. 38, # 2 p. 80 - 84

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   1.56688
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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