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Ethyl 2-(pyridin-4-yl)acetate
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CAS No. 54401-85-3
- Cat. No. CS-W017889
- Purity≥96%
- MDL No.MFCD00051830
*For research and further manufacturing use only, not for direct human use.
Structure of 54401-85-3
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General Information
- CAS No. 54401-85-3
- Cat. No. CS-W017889
- Purity ≥96%
- MDL No. MFCD00051830
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₁NO₂
- Molecular Weight 165.19
- Synonym(s) ethyl pyridin-4-ylacetate
- SMILES O=C(OCC)CC1=CC=NC=C1
Description
Ethyl 2-(pyridin-4-yl)acetate features a pyridine ring directly conjugated to an ester-bearing acetic acid side chain, enabling straightforward functionalization at the benzylic position. This structural motif supports efficient derivatization in synthetic organic chemistry and offers enhanced solubility compared to related aromatic esters.
Application
Ethyl 2-(pyridin-4-yl)acetate serves as a versatile building block in medicinal chemistry, enabling efficient access to pyridine-containing bioactive scaffolds. Its ester functionality facilitates subsequent transformations such as hydrolysis, reduction, or coupling reactions, while the para-pyridyl group provides excellent electronic modulation and metabolic stability. The compound exhibits good bench stability, ease of purification, and compatibility with standard synthetic protocols, making it ideal for use in drug discovery campaigns targeting kinase inhibitors and other heterocyclic therapeutics.
Synthesis
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Route1
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64-17-5 -
In-stock
6622-91-9 - ~97%
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In-stock
54401-85-3
References
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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
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References
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US4906621 A1, ;
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References
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Ho, Jonathan Z.; Braun, Matthew P. Journal of Labelled Compounds and Radiopharmaceuticals, 2007 , vol. 50, # 5-6 p. 277 - 280
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 39.19
- LogP 1.1872
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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