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CS-W001157 4
Total: USD 88.00

Isonicotinic acid, methyl ester

  • CAS No. 2459-09-8

  • Cat. No. CS-D1405
  • Purity≥97%
  • MDL No.None

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

Isonicotinic acid, methyl ester|CS-D1405

Structure of 2459-09-8

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General Information

  • CAS No. 2459-09-8
  • Cat. No. CS-D1405
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₂
  • Molecular Weight 137.14
  • Synonym(s) 4-Carbomethoxypyridine; 4-Methoxycarbonylpyridine; Methyl 4-pyridinecarboxylate; Methyl isonicotinate; NSC 18257; Pyridine-4-carboxylic Acid Methyl Ester
  • SMILES O=C(C1=CC=NC=C1)OC

Application

Methyl isonicotinate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to pyridine-based scaffolds. Its ester functionality facilitates nucleophilic acyl substitution and reduction to the corresponding alcohol or aldehyde. The meta-substituted pyridine ring exhibits favorable electronic properties for metal-catalyzed cross-coupling reactions and functional group interconversions, making it a practical choice for medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      3783-38-8
    • ~10%
    • In-stock
      Isonicotinic acid, methyl ester|CS-D1405
      2459-09-8

    References

    • Balicki, Roman; Kaczmarek, Lukasz Gazzetta Chimica Italiana, 1994 , vol. 124, # 9 p. 385 - 386
  • Route2
    • Isonicotinic acid Nicotinic Acid  Impurity|CS-0229405
      55-22-1
    • null|null
      67-56-1
    • ~94%
    • In-stock
      Isonicotinic acid, methyl ester|CS-D1405
      2459-09-8

    References

    • Nelsen, Stephen F.; Gannett, Peter M.; Steffek, Daniel J. Journal of Organic Chemistry, 1980 , vol. 45, # 19 p. 3857 - 3860
  • Route3
    • In-stock
      γ-Formylpyridine|CS-D1135
      872-85-5
    • null|null
      67-56-1
    • ~95%
    • In-stock
      Isonicotinic acid, methyl ester|CS-D1405
      2459-09-8

    References

    • Kiran; Ikeda, Reiko; Sakai, Norio; Konakahara, Takeo Synthesis, 2010 , # 2 art. no. F16609SS, p. 276 - 282

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   0.8682
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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