Lot numbers can be found on the outside label of a product:
Methyl quinoline-7-carboxylate
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CAS No. 51552-68-2
- Cat. No. CS-W004193
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 51552-68-2
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General Information
- CAS No. 51552-68-2
- Cat. No. CS-W004193
- Purity ≥98%
- 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) 7-Quinolinecarboxylic acid, methyl ester
- SMILES COC(=O)c1ccc2c(c1)nccc2
Description
Methyl quinoline-7-carboxylate is a bench-stable heterocyclic ester featuring a quinoline core with a methyl carboxylate group at the 7-position. This configuration enhances solubility in organic solvents and supports direct incorporation into synthetic routes requiring electron-deficient aromatic systems. The compound serves as a key intermediate in the development of pharmaceutical agents and functional materials.
Application
Methyl quinoline-7-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of quinoline-based scaffolds. Its methyl ester group facilitates straightforward functionalization via hydrolysis, reduction, or coupling reactions, while the quinoline core provides inherent stability and π-conjugation. The compound exhibits good bench stability and compatibility with diverse reaction conditions, making it valuable for medicinal chemistry campaigns and process development targeting heterocyclic APIs.
Synthesis
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Route1
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67-56-1 -
In-stock
325-14-4 - ~87%
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In-stock
51552-68-2
References
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Gruenenthal GmbH Patent: US2010/234340 A1, 2010 ; Location in patent: Page/Page column 21 ; US 20100234340 A1
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Route2
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67-56-1
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In-stock
1078-30-4 - ~%
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In-stock
51552-68-2
References
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AMGEN INC.; BISWAS, Kaustav; BROWN, James; CHEN, Jian, J.; GORE, Vijay, Keshav; HARRIED, Scott; HORNE, Daniel, B.; KALLER, Matthew, R.; LIU, Qingyian; MA, Vu, Van; MONENSCHEIN, Holger; NGUYEN, Thomas, T.; YUAN, Chester, Chenguang; ZHONG, Wenge; ST. JEAN, David, J., Jr. Patent: WO2012/177893 A2, 2012 ; Location in patent: Page/Page column 141-142 ; WO 2012/177893 A2
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Route3
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In-stock
346-55-4 - ~%
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In-stock
51552-68-2
References
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Cody, Wayne L.; Holsworth, Daniel D.; Powell, Noel A.; Jalaie, Mehran; Zhang, Erli; Wang, Wei; Samas, Brian; Bryant, John; Ostroski, Robert; Ryan, Michael J.; Edmunds, Jeremy J. Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 1 p. 59 - 68
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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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