Lot numbers can be found on the outside label of a product:
Methyl 2-(pyridin-3-yl)acetate
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CAS No. 39998-25-9
- Cat. No. CS-0037030
- Purity≥97%
- MDL No.MFCD00023617
*For research and further manufacturing use only, not for direct human use.
Structure of 39998-25-9
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General Information
- CAS No. 39998-25-9
- Cat. No. CS-0037030
- Purity ≥97%
- MDL No. MFCD00023617
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₉NO₂
- Molecular Weight 151.16
- Synonym(s) Methyl pyridine-3-acetate
- SMILES O=C(OC)CC1=CC=CN=C1
Description
Methyl 2-(pyridin-3-yl)acetate is a bench-stable, moisture-tolerant ester featuring a pyridine ring directly conjugated to an acetyl moiety. This structural motif enables efficient coupling in cross-coupling reactions and serves as a key building block in pharmaceutical synthesis. The methyl ester group facilitates downstream functionalization while maintaining compatibility with standard reaction conditions.
Application
Methyl 2-(pyridin-3-yl)acetate serves as a versatile building block in medicinal and synthetic chemistry, enabling efficient access to pyridine-containing heterocycles. The ester functionality facilitates subsequent transformations such as hydrolysis, reduction, or nucleophilic substitution, while the ortho-substituted pyridine ring provides a robust scaffold for metal-catalyzed coupling reactions. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for iterative synthesis workflows in API development.
Synthesis
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Route1
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67-56-1 -
6419-36-9 - ~97%
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In-stock
39998-25-9
References
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Mitsubishi Chemical Corporation Patent: EP2390243 A1, 2011 ; Location in patent: Page/Page column 26 ;
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Route2
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67-56-1
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In-stock
501-81-5 - ~89%
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In-stock
39998-25-9
References
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Zhang, Jianmin; Pettersson, Hanna I.; Huitema, Carly; Niu, Chunying; Yin, Jiang; James, Michael N. G.; Eltis, Lindsay D.; Vederas, John C. Journal of Medicinal Chemistry, 2007 , vol. 50, # 8 p. 1850 - 1864
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Route3
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67-56-1
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39972-50-4
- ~%
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In-stock
39998-25-9
References
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Allen, Annette D.; Fedorov, Andrei V.; Tidwell, Thomas T.; Vukovic, Sinisa Journal of the American Chemical Society, 2004 , vol. 126, # 48 p. 15777 - 15783
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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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