1. Product Overview
Ethyl 2-(5-chloroquinolin-3-yl)acetate (CAS: 2122224-05-7) is a chlorinated quinoline derivative featuring an acetic acid ethyl ester side chain at the 3-position of the quinoline ring. With the molecular formula C₁₃H₁₂ClNO₂ and a molecular weight of 249.69 g/mol, it serves as a versatile building block in organic synthesis and medicinal chemistry. The compound offers multiple sites for chemical modification, including electrophilic substitution on the quinoline core and hydrolysis or reduction of the ester moiety, making it valuable for constructing complex heterocyclic drug scaffolds. Supplied at 98% minimum purity, it is suitable for pharmaceutical R&D and custom synthesis applications.
2. Key Features and Advantages
• High Purity: ≥98% assay ensures consistent performance in multi-step syntheses and sensitive coupling protocols.
• Dual Reactivity: The chloro group on the quinoline ring supports nucleophilic aromatic substitution and palladium-catalyzed cross-coupling reactions; the ester side chain can be hydrolyzed to the corresponding acid or reduced to the alcohol.
• Stable Heterocycle: The 5-chloroquinoline scaffold provides excellent thermal and chemical stability under standard laboratory conditions.
• Batch-to-Batch Consistency: Each lot is accompanied by CoA and analytical verification data (NMR, HPLC).
3. Main Applications
• Pharmaceutical Intermediates: Used as a key building block in the synthesis of quinoline-based APIs and drug candidates.
• Organic Synthesis Research: Employed in method development for functionalizing quinoline derivatives and heterocycle chemistry.
• Fine Chemical Synthesis: Intermediate for dyes, ligands, and functional materials incorporating quinoline architectures.
• Custom Synthesis: Suitable for scale-up from milligram screening to pilot/batch production.
4. Technical Specifications
5. Storage and Handling
• Store in a cool, dry place away from direct sunlight and moisture. For long-term stability, keep at 2–8 °C in a tightly sealed container.
• Handle in a well-ventilated area or fume hood to avoid inhalation of dust or vapors.
• Use personal protective equipment: nitrile gloves, safety goggles, and lab coat.
• Avoid contact with strong bases (risk of ester hydrolysis), strong acids, and strong oxidizers unless intended for controlled reaction.
• Keep container tightly closed when not in use. Follow standard laboratory hygiene practices.
6. Safety Overview
This compound is a halogenated heterocycle and aromatic ester; treat as potentially hazardous:
• Health Hazards: May cause skin irritation, eye irritation, and respiratory discomfort. Potential sensitizer; handle with care.
• Environmental Precautions: Do not discharge into drains or waterways. Collect spillage and dispose of as hazardous chemical waste per local regulations.
• First Aid Measures:
• Skin Contact: Wash immediately with plenty of soap and water.
• Eye Contact: Rinse cautiously with water for several minutes; remove contact lenses if present; seek medical advice.
• Inhalation: Move to fresh air; if breathing difficulty occurs, administer oxygen and consult a physician.
• Ingestion: Rinse mouth; do NOT induce vomiting; seek immediate medical attention.
• Regulatory Note: For research and industrial use only, not for human or veterinary therapeutic use. SDS available upon request.
