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CS-W001157 4
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4-Formyl-3-methoxybenzonitrile

  • CAS No. 21962-45-8

  • Cat. No. CS-W018926
  • Purity≥98%
  • MDL No.MFCD07779491

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

4-Formyl-3-methoxybenzonitrile|CS-W018926

Structure of 21962-45-8

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General Information

  • CAS No. 21962-45-8
  • Cat. No. CS-W018926
  • Purity ≥98%
  • MDL No. MFCD07779491
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) Benzonitrile, 4-formyl-3-methoxy-
  • SMILES N#CC1=CC=C(C=O)C(OC)=C1

Description

4-Formyl-3-methoxybenzonitrile features a formyl group flanked by a methoxy substituent and a nitrile at the para and meta positions, respectively. This electron-deficient aromatic scaffold integrates readily into coupling reactions and serves as a key intermediate in the synthesis of functionalized heterocycles and bioactive molecules under standard conditions.

Application

4-Formyl-3-methoxybenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling efficient access to functionalized aromatic scaffolds. The molecule combines an electron-withdrawing nitrile group with a formyl function and a methoxy substituent, offering orthogonal reactivity for sequential transformations. It facilitates nucleophilic additions, condensation reactions, and transition-metal-catalyzed couplings, while demonstrating good bench stability and ease of purification.

Synthesis

  • Route1
    • null|null
      959934-76-0
    • ~71%
    • In-stock
      4-Formyl-3-methoxybenzonitrile|CS-W018926
      21962-45-8

    References

    • BAYER SCHERING PHARMA AKTIENGESELLSCHAFT Patent: US2010/305052 A1, 2010 ; Location in patent: Page/Page column 8; 18 ;
  • Route2

    References

    • THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL Patent: EP1719767 A1, 2006 ; Location in patent: Page/Page column 24-26; 28; 33 ;
  • Route3
    • null|null
      102361-94-4
    • ~53%
    • In-stock
      4-Formyl-3-methoxybenzonitrile|CS-W018926
      21962-45-8

    References

    • Farina, Carlo; Gagliardi, Stefania; Rahman, Shahzad Sharooq Patent: US2005/38095 A1, 2005 ; Location in patent: Page/Page column 9 ; US 20050038095 A1

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.37938
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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