CAS 630422-60-5

1-Chloro-6-(1,1-dimethylethyl)isoquinoline

Description:

1-Chloro-6-(1,1-dimethylethyl)isoquinoline is a chemical compound characterized by its isoquinoline structure, which consists of a bicyclic aromatic system. The presence of a chlorine atom at the 1-position and a tert-butyl group at the 6-position significantly influences its chemical properties. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents due to its hydrophobic tert-butyl group. The chlorine substituent can impart unique reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Additionally, the isoquinoline framework is known for its biological activity, which may suggest potential applications in pharmaceuticals or agrochemicals. Safety data should be consulted, as halogenated compounds can pose environmental and health risks. Overall, 1-Chloro-6-(1,1-dimethylethyl)isoquinoline is a compound of interest in synthetic organic chemistry and medicinal chemistry research.

Formula: C₁₃H₁₄ClN

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

InChI key: InChIKey=NNIVIJZETJEDMO-UHFFFAOYSA-N

SMILES: ClC=1C2=C(C=C(C(C)(C)C)C=C2)C=CN1

Synonyms:

• 1-Chloro-6-(1,1-dimethylethyl)isoquinoline
• Isoquinoline, 1-chloro-6-(1,1-dimethylethyl)-