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Ethyl 4-chloroquinoline-3-carboxylate
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CAS No. 13720-94-0
- Cat. No. CS-0041719
- Purity≥97%
- MDL No.MFCD00173407
*For research and further manufacturing use only, not for direct human use.
Structure of 13720-94-0
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General Information
- CAS No. 13720-94-0
- Cat. No. CS-0041719
- Purity ≥97%
- MDL No. MFCD00173407
- Storage -20°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₀ClNO₂
- Molecular Weight 235.67
- Synonym(s) 4-Chloroquinoline-3-carboxylic Acid Ethyl Ester
- SMILES CCOC(=O)C1=C(Cl)C2=C(C=CC=C2)N=C1
Description
Ethyl 4-chloroquinoline-3-carboxylate features a quinoline core with strategic chlorination at the 4-position and an ester-functionalized C3 site. This combination imparts enhanced electron-withdrawing character and facilitates downstream derivatization in synthetic medicinal chemistry. The compound exhibits good stability under standard conditions and serves as a key scaffold for developing bioactive molecules, particularly in antimalarial and kinase inhibitor research.
Application
Ethyl 4-chloroquinoline-3-carboxylate serves as a versatile building block in the synthesis of quinoline-based pharmaceuticals and agrochemicals. Its chloro group at the 4-position enables palladium-catalyzed cross-coupling reactions, while the ester functionality supports selective reduction and derivatization. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development workflows.
Synthesis
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Route1
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In-stock
26892-90-0 - ~93%
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In-stock
13720-94-0
References
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Hoeglund, Iisa P. J.; Silver, Satu; Engstroem, Mia T.; Salo, Harri; Tauber, Andrei; Kyyroenen, Hanna-Kaisa; Saarenketo, Pauli; Hoffren, Anna-Marja; Kokko, Kurt; Pohjanoksa, Katariina; Sallinen, Jukka; Savola, Juha-Matti; Wurster, Siegfried; Kallatsa, Oili A. Journal of Medicinal Chemistry, 2006 , vol. 49, # 21 p. 6351 - 6363
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Route2
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In-stock
52980-28-6 - ~61%
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In-stock
13720-94-0
References
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Manera, Clementina; Cascio, Maria Grazia; Benetti, Veronica; Allara, Marco; Tuccinardi, Tiziano; Martinelli, Adriano; Saccomanni, Giuseppe; Vivoli, Elisa; Ghelardini, Carla; Di Marzo, Vincenzo; Ferrarini, Pier Luigi Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 23 p. 6505 - 6510
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Route3
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In-stock
87-13-8 - ~%
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In-stock
13720-94-0
References
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Bioorganic and Medicinal Chemistry Letters, , vol. 10, # 23 p. 2661 - 2664
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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 : H319
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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 39.19
- LogP 3.0649
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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