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1-phthalazinephosphonic acid -an unexpected product of the reaction between diisopropylphosphite and O-phthalazine

The unexpected nucleophilic substitution in phthalazine and formation of 1- phthalazinephosphonic acid is presented. The structure of the compound was proven by 1H, 31P, 13C, H-H and H-C cosy experiments as well as by X-ray analysis.

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Reference£º
Phthalazine – Wikipedia,
Phthalazine | C8H6N58 – PubChem

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Dioxygenation of alkenes

A plethora of natural products exist that contain characteristic vicinal 1,2-diols in their scaffolds. The alkene dihydroxylation methodology developed by Sharpless continues to be the most robust and general method to obtain this important motif. However, the main problem with this transformation is the use of osmium as the catalyst and, since the 1990s, various methods have been developed that employ alternative transition metals. In this chapter, the most important protocols for the racemic and enantioselective dioxygenation of alkenes mediated by metals are summarized, together with recently developed methods that employ chiral nonracemic hypervalent iodine(III) reagents.

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Phthalazine – Wikipedia,
Phthalazine | C8H6N281 – PubChem

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Novel heterocyclic troponoids: Synthesis of pyridoimidazotropolones and related compounds by the reaction of 5-nitrosotropolone with several azines

Novel heterocyclic troponoids, such as pyridoimidazotropolones (3-4, 5-11, 12-13, 14-15 and 16) were synthesized by the reaction of 5-nitrosotropolone (1) with azines as pyridine, m- and p-substituted pyridines, pyridazine, isoquinoline and phthalazine. Similarly, thiazol afforded 17. The reaction mechanism involves multi-step reactions; acetylation of 1, Michael addition of azines to nitrosotropolone acetate (2), cyclization and deacetoxylation. The scope and limitation of this method are also discussed.

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Phthalazine – Wikipedia,
Phthalazine | C8H6N388 – PubChem

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Atomistic Simulation: A Unique and Powerful Computational Tool for Corrosion Inhibition Research

It is difficult to understand the atomistic information on the interaction at the metal/corrosion inhibitor interface experimentally which is a key to understanding the mechanism by which inhibitors prevent the corrosion of metals. Atomistic simulations (molecular dynamics and Monte Carlo) are mostly performed in corrosion inhibition research to give deeper insights into the mechanism of inhibition of corrosion inhibitors on metal surfaces at the atomic and molecular time scales. A lot of works on the use of molecular dynamics and Monte Carlo simulation to investigate corrosion inhibition phenomenon have appeared in the literature in recent times. However, there is still a lack of comprehensive review on the understanding of corrosion inhibition mechanism using these atomistic simulation methodologies. In this review paper, we first of all introduce briefly some important molecular modeling simulations methods. Thereafter, the basic theories of molecular dynamics and Monte Carlo simulations are highlighted. Several studies on the use of atomistic simulations as a modern tool in corrosion inhibition research are presented. Some mechanistic and energetic information on how organic corrosion inhibitors interact with iron and copper metals are provided. This atomic and molecular level information could aid in the design, synthesis and development of new and novel corrosion inhibitors for industrial applications.

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Phthalazine – Wikipedia,
Phthalazine | C8H6N325 – PubChem

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Decomposition and oligomerization of 2,3-naphthyridine under high-pressure and high-temperature conditions

The chemical reaction of 2,3-naphthyridine, a nitrogen-containing aromatic compound, was investigated at pressures ranging from 0.5 to 1.5 GPa and temperatures from 473 to 573 K. A distinct decrease in the amount of residual 2,3-naphthyridine was observed in the samples recovered after reaction at ?523 K at 0.5 and 1.0 GPa, and ?548 K at 1.5 GPa. The formation of o-xylene and o-tolunitrile accompanied a decreasing N/C ratio of the reaction products, indicating decomposition of the aromatic ring and release of nitrogen. Precise analysis of the reaction products indicated the oligomerization of decomposed products with the residual 2,3-naphthyridine to form larger molecules up to 7mers. Nitrogen in the aromatic ring accelerated reactions to decompose the molecule and to oligomerize at lower temperatures than those typically reported for aromatic hydrocarbon oligomerization. The major reaction mechanism was similar between 0.5 and 1.5 GPa, although larger products preferentially formed in the samples at higher pressure.

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Phthalazine – Wikipedia,
Phthalazine | C8H6N408 – PubChem

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Doping Polycyclic Aromatics with Boron for Superior Performance in Materials Science and Catalysis

Boron has one valence electron less than a carbon atom and an available vacant pz orbital. The incorporation of sp2-hybridized boron atoms into the host lattice of a polycyclic aromatic hydrocarbon (PAH) is formally related to oxidative doping. A boron-containing B-PAH has an energetically low-lying LUMO and a narrow HOMO?LUMO gap, which renders it a strong Lewis acid/electron acceptor and promotes fluorescence in the visible range of the electromagnetic spectrum. Many methods have been developed to access B-PAHs that are deliberately designed for specific tasks. Herein, we highlight recent breakthroughs in the field of B-PAH synthesis and the scope of their applications, which range from Lewis acid and redox catalysis to device fabrication. We will also report on the dynamic covalent chemistry of neutral and anionic B-PAHs, as it is a potential limitation in the design of catalyst systems but can also provide a powerful synthetic tool for the preparation of otherwise inaccessible B-PAHs.

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Reference£º
Phthalazine – Wikipedia,
Phthalazine | C8H6N461 – PubChem

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(14)N NQR and ab Initio MO Calculations of Quinolines, Naphthyridines, and Benzodiazines

The (14)N NQR spectra of quinoline, 2-chloroquinoline, 1,5-naphthyridine and its hydrated form, 1,8-naphthyridine, 1,3-benzodiazine, 2,3-benzodiazine, 1,2-benzodiazine, and 1,4-benzodiazine were obtained at 77 K.Also the N electric field gradient EFG for quinolines, naphthyridines, and benzodiazines was calculated using an ab initio method with a 6-31G* set.The effect of an additional ring and the substitution of a neighboring C by a N atom on the N EFG was interpreted by means of the topology of the charge distribution of the corresponding monocyclic azines used as model compounds.

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Reference£º
Phthalazine – Wikipedia,
Phthalazine | C8H6N309 – PubChem

Simple exploration of Phthalazine

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Densely functionalized cinnolines: Controlled microwave-assisted facile one-pot multi-component synthesis and in vitro anticancer activity via apoptosis induction

There is an urging continuous need for novel anti-cancer agents due to persistent chemoresistance. Herein, newly synthesized cinnolines are evaluated for their possible anticancer activities and suggested mechanisms. In the current study, a simple and efficient synthesis of densely functionalized cinnolines has been developed that relied on multi-component reaction of ethyl 5-cyano-4-methyl-1-aryl-6-oxo-1,6-dihydropyridazine-3-carboxylates with aromatic aldehydes and nitromethane in dioxane/pipridine under controlled microwave heating. Selected cinnolines (4a-c, e, h, j-n, q-v) were tested for possible anticancer activity using in vitro one dose assay at National Cancer institute, USA. Only cinnoline 4b stood out as the most potent cinnoline derivative (mean GI%=26.33) with broad-spectrum antitumor activity against the most tested cancer cell lines from all subpanels. The target cinnoline 4b emerged as the most active derivative against both leukemia RPMI-8226 and melanoma LOX IMVI cell lines (GI% = 106.06 and 82.1) respectively, with IC50 values equal to 17.12 ¡À 1.31 and 12.32 ¡À 0.75 mug/mL, which are comparable to those of staurosporin; 24.97 ¡À 1.47 and 8.45 ¡À 0.42 mug/mL, respectively. Cinnoline 4b influenced cell cycle distribution causing pre-G1 apoptosis and cell growth arrest at G2/M phase. It also induced apoptosis in both cell lines as manifested by significant increase in the percent of annexin V-FITC positive apoptotic cells in leukemia RPMI-8226 cells (from 1.09% to 12.47%) and melanoma LOX IMVI (from 1.32% to 19.05%). In addition, it showed lower expression levels of anti-apoptotic Bcl-2 protein, and higher expression levels of pro-apoptotic proteins; Bax, p53, cytochrome c, caspases 3 and 9. Conclusion: Induction of mitochondrial intrinsic pathway of apoptosis is a possible mechanism by which cinnoline 4b may confer its anticancer activity.

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Phthalazine – Wikipedia,
Phthalazine | C8H6N316 – PubChem

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We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, the role of 253-52-1, and how the biochemistry of the body works.Product Details of 253-52-1

In homogeneous catalysis, the catalyst is in the same phase as the reactant. The number of collisions between reactants and catalyst is at a maximum.In a patent, 253-52-1, name is Phthalazine, introducing its new discovery. Product Details of 253-52-1

A Search for Lone-Pair Interactions in Forward and Reverse Menschutkin Reactions of Some Diaza Heterocycles

The rates of methylation (forward reaction) of phthalazine (1), 1,8-naphthyridine (2), 1,10-phenanthroline (3), and of some ring methyl derivatives are compared with the rates of demethylation of the corresponding N-methyl quaternary iodides.It was observed for (2), and especially for (3), that a nitrogen lone pair in place of a CH group (quinoline and 8-methylquinoline, respectively) aids the forward reaction but does not have a commensurate retarding effect on the reverse process.In contrast to (3), 2,2′-bipyridine showed behaviour typical of alpha-substituted pyridines.The introduction of a 2-methyl group into (3) had an appreciable rate-enhancing effect on methylation (at N 10) and this is interpreted as evidence for lone-pair cooperativity in the forward reaction

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Reference£º
Phthalazine – Wikipedia,
Phthalazine | C8H6N120 – PubChem

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Design and Optimization of Catalysts Based on Mechanistic Insights Derived from Quantum Chemical Reaction Modeling

Until recently, computational tools were mainly used to explain chemical reactions after experimental results were obtained. With the rapid development of software and hardware technologies to make computational modeling tools more reliable, they can now provide valuable insights and even become predictive. In this review, we highlighted several studies involving computational predictions of unexpected reactivities or providing mechanistic insights for organic and organometallic reactions that led to improved experimental results. Key to these successful applications is an integration between theory and experiment that allows for incorporation of empirical knowledge with precise computed values. Computer modeling of chemical reactions is already a standard tool that is being embraced by an ever increasing group of researchers, and it is clear that its utility in predictive reaction design will increase further in the near future.

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Reference£º
Phthalazine – Wikipedia,
Phthalazine | C8H6N26 – PubChem