368830

1,3-Dichloroisoquinoline

97%

• Empirical Formula (Hill Notation): C₉H₅Cl₂N
• CAS Number: 7742-73-6
• Molecular Weight: 198.05
• MDL number: MFCD00034750
• UNSPSC Code: 12352100
• PubChem Substance ID: 24862933
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• mp: 121-122 °C (lit.)
• functional group: chloro
• SMILES string: Clc1cc2ccccc2c(Cl)n1
• InChI: 1S/C9H5Cl2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5H
• InChI key: BRGZEQXWZWBPJH-UHFFFAOYSA-N

Description

General description

1,3-Dichloroisoquinoline undergoes Pd(PPh₃)₄ catalyzed regioselective coupling with arylboronic acids to afford to 1-aryl-3-chloroisoquinolines. Reaction of amine with 1,3-dichloroisoquinoline has been studied. Regioselectivity of the Stille coupling reaction of (1-ethoxyvinyl)tri(n-butyl)stannane with 1,3-dichloroisoquinoline has been investigated.

Application

1,3-Dichloroisoquinoline may be used in the facile synthesis of 1,3,4-trisubstituted isoquinoline derivatives.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves