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CS-W001157 4
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5-Methoxy-1H-benzo[d]imidazol-2(3H)-one

  • CAS No. 2080-75-3

  • Cat. No. CS-0043842
  • Purity≥95%
  • MDL No.MFCD01462048

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

5-Methoxy-1H-benzo[d]imidazol-2(3H)-one|CS-0043842

Structure of 2080-75-3

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General Information

  • CAS No. 2080-75-3
  • Cat. No. CS-0043842
  • Purity ≥95%
  • MDL No. MFCD01462048
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₂
  • Molecular Weight 164.16
  • Synonym(s) 5-Methoxy-2-Benzimidazolinone
  • SMILES O=C1NC2=CC=C(OC)C=C2N1

Application

5-Methoxy-1H-benzo[d]imidazol-2(3H)-one serves as a versatile heterocyclic building block for medicinal chemistry and materials science applications. Its fused benzimidazolone core exhibits enhanced stability and favorable solubility, enabling efficient functionalization at the 5-position via palladium-catalyzed cross-coupling. The methoxy group provides a handle for further derivatization while maintaining compatibility with common protecting group strategies.

Synthesis

  • Route1
    • tert-Butyl n-(2-amino-4-methoxyphenyl)carbamate|CS-0216445
      213118-56-0
    • ~74%
    • In-stock
      5-Methoxy-1H-benzo[d]imidazol-2(3H)-one|CS-0043842
      2080-75-3

    References

    • THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL; JIN, Jian; ROTH, Bryan; FRYE, Stephen Patent: WO2012/3418 A2, 2012 ; Location in patent: Page/Page column 71 ; WO 2012/003418 A2
  • Route2

    References

    • Dekhane, Deepak V.; Pawara, Shivaji V.; Gupta, Sunil V.; Shingareb, Murlidhar S.; Thore, Shivaji N. Letters in Organic Chemistry, 2011 , vol. 8, # 6 p. 406 - 411
  • Route3

    References

    • MedChemComm, , vol. 4, # 3 p. 527 - 529

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   57.88
  • LogP   0.8648
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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