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CS-W001157 4
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Ethyl 2-(pyridin-3-yl)acetate

  • CAS No. 39931-77-6

  • Cat. No. CS-W002001
  • Purity≥97%
  • MDL No.MFCD00006411

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

Ethyl 2-(pyridin-3-yl)acetate|CS-W002001

Structure of 39931-77-6

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General Information

  • CAS No. 39931-77-6
  • Cat. No. CS-W002001
  • Purity ≥97%
  • MDL No. MFCD00006411
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₂
  • Molecular Weight 165.19
  • Synonym(s) Ethyl 3-pyridylacetate
  • SMILES CCOC(=O)Cc1cccnc1

Description

Ethyl 2-(pyridin-3-yl)acetate features a pyridine ring directly conjugated to an acetyl ester, delivering enhanced stability and solubility in polar organic solvents. This bench-stable compound integrates readily into synthetic sequences requiring nitrogen-containing heterocycles, serving as a key intermediate for pharmaceuticals and agrochemicals.

Application

Ethyl 2-(pyridin-3-yl)acetate serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocycles through standard functional group transformations. Its pyridine moiety offers enhanced solubility and metabolic stability, while the ester group facilitates subsequent derivatization via hydrolysis, reduction, or coupling reactions. The molecule exhibits excellent bench stability and is readily purified by distillation or chromatography, making it well-suited for scalable synthesis and process development.

Synthesis

  • Route1

    References

    • Feng, Yi-Si; Wu, Wei; Xu, Zhong-Qiu; Li, Yan; Li, Ming; Xu, Hua-Jian Tetrahedron, 2012 , vol. 68, # 9 p. 2113 - 2120
  • Route2
    • In-stock
      3-Bromopyridine|CS-0008362
      626-55-1
    • null|null
      105-53-3
    • ~73%
    • In-stock
      Ethyl 2-(pyridin-3-yl)acetate|CS-W002001
      39931-77-6

    References

    • Kondo; Inamoto; Uchiyama; Sakamoto Chemical Communications, 2001 , # 24 p. 2704 - 2705
  • Route3
    • null|null
      64-17-5
    • 3-Pyridylacetic acid hydrochloride Risedronate  Impurity|CS-0229121
      6419-36-9
    • ~91%
    • In-stock
      Ethyl 2-(pyridin-3-yl)acetate|CS-W002001
      39931-77-6

    References

    • Baruah, Pranjal K.; Dinsmore, Jason; King, Amber M.; Salome, Christophe; De Ryck, Marc; Kaminski, Rafal; Provins, Laurent; Kohn, Harold Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 11 p. 3551 - 3564

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-P405-P501

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   1.1872
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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