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CS-W001157 4
Total: USD 88.00

1-Methylpyridin-2(1H)-one

  • CAS No. 694-85-9

  • Cat. No. CS-0063949
  • Purity≥98%
  • MDL No.MFCD00006520

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

1-Methylpyridin-2(1H)-one|CS-0063949

Structure of 694-85-9

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General Information

  • CAS No. 694-85-9
  • Cat. No. CS-0063949
  • Purity ≥98%
  • MDL No. MFCD00006520
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO
  • Molecular Weight 109.13
  • Synonym(s) 1-methylpyridine-2-one
  • SMILES O=C1C=CC=CN1C

Description

1-Methylpyridin-2(1H)-one features a pyridinone core with a methyl group at the 1-position, delivering enhanced solubility and stability compared to unsubstituted analogs. This bench-stable heterocycle integrates readily into synthetic sequences requiring nitrogen-donor ligands or bioactive scaffolds.

Application

1-Methylpyridin-2(1H)-one serves as a versatile heterocyclic building block in medicinal chemistry, offering a stable pyridone core with enhanced solubility and metabolic resilience. Its N-methylated pyridinone scaffold enables predictable hydrogen bonding and π–π interactions, facilitating target engagement in kinase and protease inhibitors. The compound exhibits excellent bench stability, tolerates diverse functional groups, and participates reliably in cross-coupling and nucleophilic substitution reactions, making it a practical choice for lead optimization and API development workflows.

Synthesis

  • Route1
    • α-Pyridone Levetiracetam Impurity|CS-0213990
      142-08-5
    • null|null
      74-88-4
    • ~85%
    • In-stock
      1-Methylpyridin-2(1H)-one|CS-0063949
      694-85-9

    References

    • De Saroj; Ghorai, Sujit K.; Mal, Dipakranjan Journal of Organic Chemistry, 2009 , vol. 74, # 4 p. 1598 - 1604
  • Route2
    • null|null
      2044-27-1
    • ~98%
    • In-stock
      1-Methylpyridin-2(1H)-one|CS-0063949
      694-85-9

    References

    • Narasimhamurthy, N.; Samuelson, A. G. Tetrahedron Letters, 1986 , vol. 27, # 33 p. 3911 - 3912
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 119, # 22 p. 5091 - 5094

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   22
  • LogP   0.3853
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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