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1-Bromo-3-fluoroisoquinoline is a heterocyclic organic compound characterized by the presence of a bromine atom at the 1-position and a fluorine atom at the 3-position on the isoquinoline ring. Isoquinolines are a class of bicyclic aromatic compounds with a benzene ring fused to a pyridine ring, and the substitution of halogen atoms like bromine and fluorine can significantly alter their chemical properties and reactivity. This specific compound is of interest in medicinal chemistry and materials science due to its potential applications in the synthesis of pharmaceuticals and other specialty chemicals. The presence of both electron-withdrawing (fluorine) and electron-donating (bromine) groups on the isoquinoline nucleus can lead to unique electronic effects, making 1-bromo-3-fluoroisoquinoline a valuable building block for the development of novel compounds with tailored properties.

1076-36-4

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1076-36-4 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

Check Digit Verification of cas no

The CAS Registry Mumber 1076-36-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,7 and 6 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1076-36:
(6*1)+(5*0)+(4*7)+(3*6)+(2*3)+(1*6)=64
64 % 10 = 4
So 1076-36-4 is a valid CAS Registry Number.

1076-36-4Downstream Products

1076-36-4Relevant academic research and scientific papers

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

Lo, Jerry C.Y.,So, Loi-Chi,Chan, Michael C.W.

, p. 15905 - 15913 (2015)

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.

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