Lot numbers can be found on the outside label of a product:
Methyl 4-oxo-1,4-dihydroquinoline-7-carboxylate
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CAS No. 863785-96-0
- Cat. No. CS-W006724
- Purity≥98%
- MDL No.MFCD11501415
*For research and further manufacturing use only, not for direct human use.
Structure of 863785-96-0
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General Information
- CAS No. 863785-96-0
- Cat. No. CS-W006724
- Purity ≥98%
- MDL No. MFCD11501415
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₉NO₃
- Molecular Weight 203.19
- Synonym(s) methyl 4-oxo-1H-quinoline-7-carboxylate
- SMILES COC(=O)C1=CC2=C(C=C1)C(=O)C=CN2
Description
Methyl 4-oxo-1,4-dihydroquinoline-7-carboxylate features a fused quinoline core with a ketone at C4 and a methyl ester at C7, delivering enhanced solubility and stability under standard conditions. This scaffold integrates readily into synthetic sequences requiring electron-deficient heterocyclic platforms, enabling efficient access to bioactive analogs in medicinal chemistry workflows.
Application
Methyl 4-oxo-1,4-dihydroquinoline-7-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to quinoline-based scaffolds. Its ortho-quinone-like reactivity facilitates electrophilic substitution and transition-metal-catalyzed coupling reactions. The methyl ester group provides stability and ease of purification, while the 4-oxo functionality supports further functionalization via enolization or condensation. This compound functions reliably in medicinal chemistry campaigns targeting kinase inhibitors and antimalarial agents.
Synthesis
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References
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KIRIN BEER KABUSHIKI KAISHA Patent: EP1724268 A1, 2006 ; Location in patent: Page/Page column 75-76 ;
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Route2
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1018812-86-6 - ~%
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In-stock
863785-96-0
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1018812-87-7
References
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Morgentin, Remy; Pasquet, Georges; Boutron, Pascal; Jung, Frederic; Lamorlette, Maryannick; Maudet, Mickael; Ple, Patrick Tetrahedron, 2008 , vol. 64, # 12 p. 2772 - 2782
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Route3
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948573-54-4 - ~%
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In-stock
863785-96-0
References
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ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2007/99326 A1, 2007 ; Location in patent: Page/Page column 176 ; WO 2007/099326 A1
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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 59.16
- LogP 1.3147
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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