Lot numbers can be found on the outside label of a product:
1-Methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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CAS No. 18471-99-3
- Cat. No. CS-0038698
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 18471-99-3
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General Information
- CAS No. 18471-99-3
- Cat. No. CS-0038698
- Purity ≥98%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₉NO₃
- Molecular Weight 203.19
- Synonym(s) 1-methyl-4-oxoquinoline-3-carboxylic acid
- SMILES CN1C=C(C(=O)C2=C1C=CC=C2)C(=O)O
Description
1-Methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid features a fused quinoline core with a methylated nitrogen and a carboxylic acid at C3, enabling direct integration into bioactive scaffolds. The electron-deficient dihydroquinoline ring facilitates conjugation in medicinal chemistry applications, while the bench-stable carboxylic acid group supports straightforward derivatization under standard conditions.
Application
1-Methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid serves as a versatile scaffold for medicinal chemistry and synthetic organic research. Its conjugated quinolinone core enables reliable functionalization at C3 and C4 positions, facilitating coupling reactions and derivatization under mild conditions. The carboxylic acid group supports direct amidation or esterification, while the methyl substituent enhances metabolic stability and modulates electronic properties. Bench-stable and readily purified by recrystallization, it functions as a key building block in the synthesis of heterocyclic APIs and bioactive molecules.
Synthesis
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Route1
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105576-74-7 - ~98%
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In-stock
18471-99-3
References
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Meth-Cohn Synthesis, 1986 , vol. NO. 1, p. 76 - 78
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Route2
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37041-15-9
- ~%
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In-stock
18471-99-3
References
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Golub, Andriy G.; Yakovenko, Olexander Ya.; Bdzhola, Volodymyr G.; Sapelkin, Vladislav M.; Zien, Piotr; Yarmoluk, Sergiy M. Journal of Medicinal Chemistry, 2006 , vol. 49, # 22 p. 6443 - 6450
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Route3
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100-61-8
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In-stock
18471-99-3
References
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Golub, Andriy G.; Yakovenko, Olexander Ya.; Bdzhola, Volodymyr G.; Sapelkin, Vladislav M.; Zien, Piotr; Yarmoluk, Sergiy M. Journal of Medicinal Chemistry, 2006 , vol. 49, # 22 p. 6443 - 6450
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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 59.3
- LogP 1.2367
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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