Lot numbers can be found on the outside label of a product:
Methyl 2-(pyridin-4-yl)acetate
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CAS No. 29800-89-3
- Cat. No. CS-0015139
- Purity≥98%
- MDL No.MFCD00972014
*For research and further manufacturing use only, not for direct human use.
Structure of 29800-89-3
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General Information
- CAS No. 29800-89-3
- Cat. No. CS-0015139
- Purity ≥98%
- MDL No. MFCD00972014
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₉NO₂
- Molecular Weight 151.16
- Synonym(s) Methyl 4-pyridylacetate
- SMILES O=C(OC)CC1=CC=NC=C1
Description
Methyl 2-(pyridin-4-yl)acetate features a pyridine ring directly conjugated to an ester-functionalized acetic acid moiety, enabling seamless integration into heterocyclic synthesis. This bench-stable, moisture-tolerant reagent serves as a key building block for pharmaceutical intermediates and ligand design, offering predictable reactivity under standard conditions.
Application
Methyl 2-(pyridin-4-yl)acetate serves as a versatile building block in medicinal chemistry, enabling efficient access to pyridine-containing heterocycles via standard functional group transformations. Its stability under ambient conditions and compatibility with common coupling reactions facilitate straightforward derivatization. The molecule functions as a key intermediate in the synthesis of bioactive compounds, particularly those incorporating pharmacophoric pyridyl motifs.
Synthesis
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Route1
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186581-53-3 -
In-stock
6622-91-9 - ~%
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In-stock
29800-89-3
References
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Journal of the American Chemical Society, , vol. 126, # 48 p. 15777 - 15783
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Route2
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186581-53-3
- ~%
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In-stock
29800-89-3
References
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Journal of the American Chemical Society, , vol. 74, p. 3175 Journal of the Chemical Society, , p. 2586,2591
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Route3
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67-56-1
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In-stock
28356-58-3 - ~99%
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In-stock
29800-89-3
References
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Weide, Timo; Arve, Lars; Prinz, Heino; Waldmann, Herbert; Kessler, Horst Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 1 p. 59 - 63
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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 0.7971
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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