跳至主要内容

Beautiful Chemistry-Photoinduced Alkene Cleavage Using Nitroarenes

 Medicilon beautiful chemistry.webp

The oxidative cleavage of olefins is an important transformation in organic synthesis to obtain carbonyl functional groups such as ketones and aldehydes. The current used approaches, such as ozonolysis and Lemieux-Johnson Oxidation suffer from many significant limitations. Thus the development of a mild, general, and practical approach is still highly warranted.

Oxidative Cleavage of Alkenes.webpOxidative Cleavage of Alkenes[1]

A recent report from Parasram group (J. Am. Chem. Soc. 2022, 144, 15437.) indicated a visible light-induced anaerobic cleavage of alkenes by using economical and bench-stable nitroarenes as oxygen transfer reagents.

The authors used 4-fluorostyrene as the control olefin to optimize the reaction conditions. They found 4-CN-nitrobenzene was the best nitroarene for such transformations. A few other nitroarenes bearing strong electron-withdrawing group gave satisfactory results, while nitroarene bearing electron-donating group gave poor conversion.

Optimization of reaction condition.webpOptimization of reaction condition[1]

By using the 4-fluorostyrene and 4-CN-nitrobenzene reaction pair, further optimizations on the solvent, equivalency, concentration, wavelength screen and reaction time established the optimal reaction conditions.

Optimization of reaction condition.webp

Optimization of reaction condition[1]

The reaction scope was investigated: styrenes, α-methylstyrenes, cyclic styrenes, tri- and tetra-substituted styrenes containing both electron-donating and electron-withdrawing substituents worked well to give corresponding aldehydes and ketones in good yields.  Sensitive functional groups such as hydroxyl, carboxylic acid, halides and boronic esters were well tolerated.  Styrenes with tethered π-systems resulted in regioselective cleavage of the styrenyl alkenes, such regioselectivity represents a major improvement on previously reported oxidative cleavage methods.

Scope of the Nitroarene Induced Anaerobic Cleavage of Alkenes.webp

Scope of the Nitroarene Induced Anaerobic Cleavage of Alkenes[1]

The anaerobic cleavage of unactivated alkenes, however, gave poor yields due to the low reactivity.

Scope of the Nitroarene Induced Anaerobic Cleavage of Alkenes.webp

Scope of the Nitroarene Induced Anaerobic Cleavage of Alkenes[1]


Almost at the same time, Leonori and co-workers published their work (Nature 2022, 610, 81) on this subject and showed their way to solve this issue: in their research, they found a strong linear free-energy relationship between the electronic character of the nitroarene and the reaction rate. The reactivity profile of nitroarenes as photo-responsive oxidants can be tuned as 3-CN-5-CF3 nitrobenzene, to further amplify the electrophilic character of their excited states. Indeed, the 3-CN-5-CF3 nitrobenzene worked well with unactivated olefins.

 Mechanistic experiments.webpMechanistic experiments[2]

Leonori and co-workers also did thorough evaluation on the site selectivity of substrates containing more than one C–Cπ site. They concluded that the regioselectivity depends on the electronic nature of the nitroarene and the two alkenes.  The oxidative cleavage occurred at the more electron-rich double bond; in addition, the selectivity increases when using less electrophilic nitroarene.  As a result, modulation of the nitroarene electronics can be used to amplify narrow reactivity differences when substrate control is difficult to implement.

Achieving alkene selectivity.webpAchieving alkene selectivity[2]

After detailed mechanistic studies, the Parasram group proposed a biradical [3+2] cycloaddition to form dioxazolidine; polar fragmentation of dioxazolidine, followed by 1,3-dipolar cycloaddition to give 1,4,2-dioxazolidine intermediates, which fragment to the desired carbonyl products.

Proposed Mechanism.webpProposed Mechanism[1]

To evaluate the scalability of this methodology, both teams performed the reaction on multigram scale. Despite reported challenges for scaling up photochemical reactions, the reaction went smoothly at 10 mmol scale with the unmodified reaction conditions using a simple batch setup.

Reaction setup.webpReaction setup[1]

In summary, the unique reactivity of the photo-induced nitroarene biradicals enabled this mild, safe, and practical procedure to selectively cleave alkenes under anaerobic conditions, thus providing a powerful and reliable alternative tool to oxidatively cleave olefins.

Medicilon Photochemistry Platform

Medicilon has been vigorously developing new technologies over the years, integrating emerging methods of green chemistry into its services, using currently popular photoredox chemistry, electrochemisty, catalyst screening, continuous reactions, etc., to provide our customers with high-quality economic solutions.

  • ❖Highly experienced in different types of photochemistry reactions

  • ❖Full capacity for the synthesis of a variety of catalysts for photocatalytic reactions

  • ❖Strong expertise in photoredox chemistry

References: 

 [1] Photoinduced oxygen transfer using nitroarenes for the anaerobic cleavage of alkenes Dan E Wise, Emma S Gogarnoiu, Alana D Duke, Joshua M Paolillo, Taylor L Vacala, Waseem A Hussain, Marvin Parasram J. Am. Chem. Soc. 2022, 144 (34), 15437-15442. doi: 10.1021/jacs.2c05648 

 [2] Photoexcited nitroarenes for the oxidative cleavage of alkenes Alessandro Ruffoni, Charlotte Hampton, Marco Simonetti, Daniele Leonori Nature 2022, 610 (7930), 81-86. doi: 10.1038/s41586-022-05211-0

评论

此博客中的热门博文

What is preclinical testing?

In the process of  preclinical testing  of a compound or biological agent into a drug, the compound involved must go through the testing phase. First, we need to identify potential targets that can treat the disease. Then, a variety of compounds or preparations are screened out. Any compound that has shown potential as a drug for the treatment of this disease needs to be tested for toxicity before clinical testing to reduce the possibility of injury. preclinical testing What is the basis of preclinical testing? According to US Food and Drug Administration (FDA) regulations, a series of tests are required before a new drug is approved for use. In the first stage, basic research determines a hypothetical target for the treatment of a certain disease, and then screens small molecules or biological compounds to discover any substance with the potential to treat the disease. Then, a  preclinical research  phase followed, before which, as described above, the potential toxicity of the compou

Inventory of the three major in vitro pharmacokinetic research methods

  The metabolic properties of a compound are an essential factor in whether or not it can be used as a drug in the clinical setting, so pharmacokinetic studies of newly synthesized compounds are required in drug development. In vitro incubation with liver microsomes, recombinant CYP450 enzyme lines, and in vitro incubation with hepatocytes are some of the more common in vitro drug metabolism methods. 1. In vitro incubation method with liver microsomes The metabolic stability and metabolic phenotypes of candidate compounds in different species of liver microsomes are good predictors of the metabolic properties of compounds in vivo. They are practical tools for evaluating candidate compounds in the pre-development phase of drug development. Liver microsomes include rat liver microsomes, human liver microsomes, canine liver microsomes, monkey liver microsomes, and mouse liver microsomes. In in vitro incubation of the liver, microsomes are the "gold standard" for in vitro d

Novel Parkinson’s Therapies Possible with New Mouse Model

Parkinson's disease (PD) is a neurodegenerative disorder that is marked by the accumulation of the protein, α-synuclein (αS), into clumps known as Lewy bodies, which diminish neural health. Now, researchers from Brigham and Women's Hospital (BWH) report the development of a mouse model to induce PD-like αS aggregation, leading to resting tremor and abnormal movement control. The mouse responds to L-DOPA, similarly to patients with PD. The team's study (“Abrogating Native α-Synuclein Tetramers in Mice Causes a L-DOPA-Responsive Motor Syndrome Closely Resembling Parkinson’s Disease”) on the use of this transgenic mouse model appears in  Neuron . “α-Synuclein (αS) regulates vesicle exocytosis but forms insoluble deposits in PD. Developing disease-modifying therapies requires animal models that reproduce cardinal features of PD. We recently described a previously unrecognized physiological form of αS, α-helical tetramers, and showed that familial PD-causing missense mutati