Lot numbers can be found on the outside label of a product:
Methyl 8-quinolinecarboxylate
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CAS No. 40245-26-9
- Cat. No. CS-0342748
- Purity≥95%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 40245-26-9
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General Information
- CAS No. 40245-26-9
- Cat. No. CS-0342748
- Purity ≥95%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₉NO₂
- Molecular Weight 187.19
- Synonym(s) METHYLQUINOLINE-8-CARBOXYLATE
- SMILES COC(=O)C1=CC=CC2=C1N=CC=C2
Description
Methyl 8-quinolinecarboxylate is a bench-stable, moisture-tolerant heterocyclic ester featuring a quinoline core with a methyl ester at the 8-position. This configuration enhances solubility in organic solvents and enables direct incorporation into metal-ligand complexes. The electron-deficient quinoline ring facilitates coordination to transition metals, making it valuable for catalytic systems and ligand design in synthetic transformations.
Application
Methyl 8-quinolinecarboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of quinoline-based scaffolds. Its methyl ester group facilitates selective derivatization, while the quinoline core provides robust functionality for transition metal-catalyzed coupling reactions and heterocycle functionalization. The compound exhibits excellent bench stability and ease of purification, making it well-suited for medicinal chemistry campaigns and process-scale synthesis.
Synthesis
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Route1
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In-stock
86-59-9 -
18107-18-1 - ~77%
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In-stock
40245-26-9
References
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ALLERGAN, INC.; OLD, David W. Patent: WO2012/3145 A2, 2012 ; Location in patent: Page/Page column 10; 28 ;
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Route2
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186581-53-3
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In-stock
86-59-9
- ~%
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In-stock
40245-26-9
References
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Amgen Inc. Patent: US2005/250820 A1, 2005 ; Location in patent: Page/Page column 80 ; US 20050250820 A1
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Route3
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In-stock
38707-70-9 - ~%
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In-stock
40245-26-9
References
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Elderfield; Siegel Journal of the American Chemical Society, 1951 , vol. 73, p. 5622,5627
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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-P280-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 39.19
- LogP 2.0214
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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