1076-36-4

Basic information

• Product Name: 1-Bromo-3-fluoroisoquinoline
• Synonyms: 1-Bromo-3-fluoroisoquinoline
• CAS NO: 1076-36-4
• Molecular Formula: C₉H₅BrFN
• Molecular Weight: 226.0451032
• Mol File: 1076-36-4.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-Bromo-3-fluoroisoquinoline(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Bromo-3-fluoroisoquinoline(1076-36-4)
• EPA Substance Registry System: 1-Bromo-3-fluoroisoquinoline(1076-36-4)

Safety Data

• Hazardous Substances Data: 1076-36-4(Hazardous Substances Data)

Usage

Chemical class

Halogenated heteroarenes

Structure

Isoquinoline ring system with a fluorine atom and a bromine atom substituted at the 3 and 1 positions, respectively

Applications

Organic synthesis, medicinal chemistry, pharmaceutical research, building block for the synthesis of biologically active compounds and pharmaceutical drugs, reagent in chemical reactions, precursor in the manufacturing of other organic compounds

Potential applications

Agrochemicals, material science

Unique properties

Reactivity, chemical properties

Upstream product

• 13130-79-5 3-amino-1-bromoisoquinoline 
• 3759-28-2 (2-cyanophenyl)acetonitrile 

Relevant articles and documents

Synthesis and spectroscopic characterization of group 4 post-metallocenes bearing (σ-aryl)-2-phenolate-6-pyridyl and -isoquinolinyl auxiliaries

A new series of group 4 bis(benzyl) complexes supported by (σ-aryl)-2-phenolate-6-pyridyl [O,C,N] ligands have been prepared, and all derivatives have been characterized by multinuclear NMR spectroscopy. In the 1H NMR spectrum of the Ti derivative where [N] = (ortho-F)-substituted isoquinolinyl, one of the two CH2 resonances is observed as a doublet of doublets (collapsing to a normal d upon 19F-decoupling), whereas the [1H,19F]-HMQC correlation spectrum reveals a strong crosspeak for this dd resonance only, thus indicating the presence of intramolecular C-H·F-C interactions. [1H,19F]-HMBC experiments have been performed which reveal a significant scalar component for this coupling and confirm that the interactions are genuine. The contrasting NMR spectral patterns for the (ortho-F)-pyridyl Hf analogue, which exhibits two sets of non-identical doublet of doublets for the methylene resonances, have been rationalized. The activities of the isoquinolinyl-based Ti-[O,C,N] catalysts for ethylene polymerization are superior to those of pyridyl-based congeners.