Lot numbers can be found on the outside label of a product:
Methyl 3-oxo-3-(pyridin-2-yl)propanoate
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CAS No. 75418-74-5
- Cat. No. CS-W023135
- Purity≥95%
- MDL No.MFCD11849520
*For research and further manufacturing use only, not for direct human use.
Structure of 75418-74-5
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General Information
- CAS No. 75418-74-5
- Cat. No. CS-W023135
- Purity ≥95%
- MDL No. MFCD11849520
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₉NO₃
- Molecular Weight None
- Synonym(s) 2-Pyridinepropanoic acid, b-oxo-, methyl ester
- SMILES COC(CC(C1=CC=CC=N1)=O)=O
Description
Methyl 3-oxo-3-(pyridin-2-yl)propanoate is a pyridyl-substituted β-keto ester featuring a conjugated enone system and a readily functionalizable ester group. This compound integrates seamlessly into multistep syntheses, serving as a key building block for heterocyclic frameworks and complex molecular architectures.
Application
Methyl 3-oxo-3-(pyridin-2-yl)propanoate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyridine-fused scaffolds via condensation and cyclization reactions. Its α,β-unsaturated ketone functionality facilitates Michael additions and aldol-type transformations under mild conditions. The molecule exhibits excellent bench stability and is compatible with common protecting group strategies, making it ideal for iterative synthesis workflows in medicinal chemistry and process development.
Synthesis
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Route1
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1122-62-9 -
616-38-6 - ~49%
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In-stock
75418-74-5
References
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ViroBay, Inc. Patent: US2008/161254 A1, 2008 ; Location in patent: Page/Page column 14 ;
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Route2
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In-stock
2459-07-6 -
79-20-9
- ~56%
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In-stock
75418-74-5
References
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Nishi; Higashi; Takemura; Sato Journal of Antibiotics, 1993 , vol. 46, # 11 p. 1740 - 1751
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Route3
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38330-80-2
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100312-28-5
- ~%
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In-stock
75418-74-5
References
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Allan, Kevin M.; Hong, Boram D.; Stoltz, Brian M. Organic and Biomolecular Chemistry, 2009 , vol. 7, # 23 p. 4960 - 4964
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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 56.26
- LogP 0.8274
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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