CAS 18436-72-1

4-Chloro-6-(1,1-dimethylethyl)quinoline

Description:

4-Chloro-6-(1,1-dimethylethyl)quinoline is an organic compound characterized by its quinoline structure, which consists of a fused benzene and pyridine ring. The presence of a chlorine atom at the 4-position and a tert-butyl group at the 6-position significantly influences its chemical properties and reactivity. This compound typically appears as a solid or crystalline substance and is known for its potential applications in pharmaceuticals and agrochemicals due to its biological activity. It may exhibit various properties such as moderate solubility in organic solvents and limited solubility in water, which is common for many quinoline derivatives. The chlorine substituent can enhance the compound's lipophilicity, potentially affecting its interaction with biological systems. Additionally, the tert-butyl group can provide steric hindrance, influencing the compound's reactivity and stability. As with many chemical substances, safety precautions should be taken when handling this compound, as it may pose health risks or environmental hazards.

Formula: C₁₃H₁₄ClN

InChI: InChI=1S/C13H14ClN/c1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12/h4-8H,1-3H3

InChI key: InChIKey=KRVMLZMNINVLIV-UHFFFAOYSA-N

SMILES: ClC=1C2=C(C=CC(C(C)(C)C)=C2)N=CC1

Synonyms:

• Quinoline, 4-chloro-6-(1,1-dimethylethyl)-
• Quinoline, 6-tert-butyl-4-chloro-
• 4-Chloro-6-(1,1-dimethylethyl)quinoline