Month: November 2022

On April 15, 2014, Ravnsbaek, Jens B.; Swager, Timothy M. published an article.Product Details of 146370-51-6 The title of the article was Mechanochemical Synthesis of Poly(phenylene vinylenes). And the article contained the following:

We report a simple, rapid, and solvent-free methodol. for solid-state polymerizations yielding poly(phenylene vinylenes) (PPVs) promoted by ball-milling. This solid-state Gilch polymerization method produces PPVs in as little as five minutes of milling. Detailed investigations of the parameter space governing the solid-state polymerization, i.e., milling time, base strength, solid-state dilution, milling frequency, and size of milling balls, revealed that polymerization by ball-milling is a rapid process achieving mol. number average weights of up to 40 kDa in up to 70% yield. To explore the scope, a solid-state polymerization via the dithiocarbamate precursor route is explored. The experimental process involved the reaction of 1-((2-Ethylhexyl)oxy)-4-methoxybenzene(cas: 146370-51-6).Product Details of 146370-51-6

The Article related to ball milling mechanochem polymerization polyphenylene vinylene, solid state gilch polymerization phenylenevinylene meh ppv, Chemistry of Synthetic High Polymers: Ring-Opening and Other Polymerizations and other aspects.Product Details of 146370-51-6

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On February 23, 1993, Wudl, Fred; Srdanov, Gordana published a patent.Safety of 1-((2-Ethylhexyl)oxy)-4-methoxybenzene The title of the patent was Conducting polymer formed of poly[2-methoxy-5-(2-ethylhexyloxy)-p-phenylene vinylene]. And the patent contained the following:

The title polymer (I) useful as conductors or as sensors for halogens are prepared Thus, adding 18 mmol tert-BuOK in 80 mL THF dropwise to a solution of 3 mmol 2,5-bis(chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene in 20 mL THF at room temperature, and stirring for 24 h gave 45% I with mol. weight 30,000 and maximum conductivity (iodine-doped film) 60 S/cm. The experimental process involved the reaction of 1-((2-Ethylhexyl)oxy)-4-methoxybenzene(cas: 146370-51-6).Safety of 1-((2-Ethylhexyl)oxy)-4-methoxybenzene

The Article related to halogen sensor polyphenylene vinylene film, iodine sensor polyphenylene vinylene film, elec conducting polyphenylene vinylene film, Chemistry of Synthetic High Polymers: Ring-Opening and Other Polymerizations and other aspects.Safety of 1-((2-Ethylhexyl)oxy)-4-methoxybenzene

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On April 30, 2021, Jain, Suresh S.; Yadav, Ganapati D. published an article.Related Products of 578-58-5 The title of the article was Kinetic study for ionic liquid catalyzed green O-methylation of cresols using dimethyl carbonate. And the article contained the following:

In this work, we have systematically studied the kinetics and mechanism of ionic liquid catalyzed solvent less liquid-phase O-methylation of p-cresol with di-Me carbonate (DMC). The effect of various parameters such as mass transfer resistance, catalyst loading, mole ratio, initial CO2 pressure, and temperature was studied. The reaction was found to be pseudo zero order with respect to p-cresol and first order with respect to DMC. o- and m-Cresols were also used. The values of apparent activation energy for o-, m-, and p-cresol are found as 32.5, 34.0, and 32.5 kcal/mol, resp. Our study also suggests that type of cation and anion affects the catalytic acitivity of ionic liquids Ionic liquid, tetra Bu phosphonium bromide, offers excellent activity, selectivity, reusability, recyclability and stability. The experimental process involved the reaction of 2-Methylanisole(cas: 578-58-5).Related Products of 578-58-5

The Article related to methylation cresol ionic liquid catalyst reaction kinetic study, Physical Organic Chemistry: Addition, Elimination, and Substitution Reactions and other aspects.Related Products of 578-58-5

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Pratali Maffei, Luna; Faravelli, Tiziano; Cavallotti, Carlo; Pelucchi, Matteo published an article in 2020, the title of the article was Electronic structure-based rate rules for H ipso addition-elimination reactions on mono-aromatic hydrocarbons with single and double OH/CH3/OCH3/CHO/C2H5 substituents: a systematic theoretical investigation.Quality Control of 2-Methylanisole And the article contains the following content:

The recent interest in bio-oils combustion and the key role of mono-aromatic hydrocarbons (MAHs) in existing kinetic frameworks, both in terms of poly-aromatic hydrocarbons growth and surrogate fuels formulation, motivates the current systematic theor. investigation of one of the relevant reaction classes in MAHs pyrolysis and oxidation: ipso substitution by hydrogen. State-of-the-art theor. methods and protocols implemented in automatized computational routines allowed to investigate 14 different potential energy surfaces involving MAHs with hydroxy and Me single (phenol and toluene) and double (o-,m-,p-C6H4(OH)2, o-,m-,p-CH3C6H4OH, and o-,m-,p-C6H4(CH3)2) substituents, providing rate constants for direct implementation in existing kinetic models. The accuracy of the adopted theor. method was validated by comparison of the computed rate constants with the available literature data. Systematic trends in energy barriers, pre-exponential factors, and temperature dependence of the Arrhenius parameters were found, encouraging the formulation of rate rules for H ipso substitutions on MAHs. The rules here proposed allow to extrapolate from a reference system the necessary activation energy and pre-exponential factor corrections for a large number of reactions from a limited set of electronic structure calculations We were able to estimate rate constants for other 63 H ipso addn-elimination reactions on di-substituted MAHs, reporting in total 75 rate constants for H ipso substitution reactions o-,m-,p-R’C6H4R + H → C6H5R + R’, with R,R’ = OH/CH3/OCH3/CHO/C2H5, in the 300-2000 K range. Addnl. calculations performed for validation showed that the proposed rate rules are in excellent agreement with the rate constants calculated using the full computational protocol in the 500-2000 K range, generally with errors below 20%, increasing up to 40% in a few cases. The main results of this work are the successful application of automatized electronic structure calculations for the derivation of accurate rate constants for H ipso substitution reactions on MAHs, and an efficient and innovative approach for rate rules formulation for this reaction class. The experimental process involved the reaction of 2-Methylanisole(cas: 578-58-5).Quality Control of 2-Methylanisole

The Article related to phenol toluene substitution reaction kinetics activation energy, Physical Organic Chemistry: Addition, Elimination, and Substitution Reactions and other aspects.Quality Control of 2-Methylanisole

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Mongin, Florence; Curty, Christophe; Marzi, Elena; Leroux, Frederic R.; Schlosser, Manfred published an article in 2015, the title of the article was Substituent effects on the relative rates and free energies of ortho-lithiation reactions: families of fluorobenzenes as the substrates.Category: ethers-buliding-blocks And the article contains the following content:

2-, 3- And 4-substituted fluorobenzenes and 5-substituted 1,3-difluorobenzenes were metalated with sec-butyllithium (LIS) and with lithium 2,2,6,6-tetramethylpiperidide (LiTMP) under irreversible conditions in order to determine the rates of reaction relative to the unsubstituted parent compounds (fluorobenzene and 1,3-difluorobenzene). In addition, the pairs of resulting aryllithiums were subjected to acid-base equilibration to furnish the thermodn. stabilities (or: basicities) of these species again relative to the parent compounds Not surprisingly, the effect diminishes with the distance of a given substituent to the lithiation center (ortho > meta > para) and it reaches its maximum at the ground state equilibration of the organometallic intermediate whereas it fades away at transition states, in particular reactant-like ones. Fluorine, the most powerful activator in the entire series if located at an ortho position, increases the rates of LIS- and LiTMP-promoted metalations by resp. 2 and 3 powers of ten, but by 7 to 8 powers of ten the aryllithium equilibrium stability. The experimental process involved the reaction of 1-Fluoro-2-methoxybenzene(cas: 321-28-8).Category: ethers-buliding-blocks

The Article related to fluorobenzene lithiation substituent effect kinetics equilibrium, Physical Organic Chemistry: Addition, Elimination, and Substitution Reactions and other aspects.Category: ethers-buliding-blocks

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Gao, Han; Hu, Lingfei; Hu, Yanlei; Lv, Xiangying; Wu, Yan-Bo; Lu, Gang published an article in 2021, the title of the article was Origins of Lewis acid acceleration in nickel-catalyzed C-H, C-C and C-O bond cleavage.Safety of 2-Methoxynaphthalene And the article contains the following content:

The current understanding of Lewis acid effects on transition metal catalysis is generally based on the enhanced charge transfer from metal to substrate due to the formation of Lewis acid-base adducts. The critical factors of how Lewis acids manipulate complex catalyst-substrate interactions to facilitate reactions are seldom clarified. Herein, using the energy decomposition approach, we quantify the contributions of multiple factors which account for the Lewis acid acceleration in Ni-catalyzed C-X (X = H, C, O) bond cleavage via oxidative addition The results reveal that the dominant factors for Lewis acid promotion highly depend on the features of transition states with Lewis acids. In the transition states having only heteroatom-Lewis acid interactions (e.g., C-H, C-CN and C(acyl)-O oxidative additions), the reactivity is improved majorly by enhancing charge transfer from the metal to the Lewis acid-activated substrates, which is consistent with the conventional viewpoint. However, for the transition states with heteroatom-Lewis acid and heteroatom-transition metal interactions (e.g., C(benzyl)-O and C(aryl)-O oxidative additions), the decisive factor for the improved reactivity is ascribed to the reduced Pauli repulsion between occupied orbitals. Further, in the transition states having heteroatom-Lewis acid and Lewis acid-transition metal interactions (e.g., C(benzyl)-O oxidative addition), the reaction is facilitated by strengthening electrostatics and polarization due to greater charge separation and electron delocalization effects. These three types of dominant factors are generally employed by a series of different Lewis acids in promoting Ni-catalyzed bond cleavage. The experimental process involved the reaction of 2-Methoxynaphthalene(cas: 93-04-9).Safety of 2-Methoxynaphthalene

The Article related to carbon hydrogen oxygen bond cleavage catalyst oxidative addition, Physical Organic Chemistry: Addition, Elimination, and Substitution Reactions and other aspects.Safety of 2-Methoxynaphthalene

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On September 11, 2013, Ricci, Paolo; Kramer, Katrina; Cambeiro, Xacobe C.; Larrosa, Igor published an article.Quality Control of 1-Fluoro-2-methoxybenzene The title of the article was Arene-Metal π-Complexation as a Traceless Reactivity Enhancer for C-H Arylation. And the article contained the following:

Current approaches to facilitate C-H arylation of arenes involve the use of either strongly electron-withdrawing substituents or directing groups. Both approaches require structural modification of the arene, limiting their generality. We present a new approach where C-H arylation is made possible without altering the connectivity of the arene via π-complexation of a Cr-(CO)3 unit, greatly enhancing the reactivity of the aromatic C-H bonds. We apply this approach to monofluorobenzenes, highly unreactive arenes, which upon complexation become nearly as reactive as pentafluorobenzene itself in their couplings with iodoarenes. DFT calculations indicate that C-H activation via a concerted metalation-deprotonation transition state is facilitated by the predisposition of C-H bonds in (Ar-H)-Cr-(Co)3 to bend out of the aromatic plane. The experimental process involved the reaction of 1-Fluoro-2-methoxybenzene(cas: 321-28-8).Quality Control of 1-Fluoro-2-methoxybenzene

The Article related to arene metal pi complexation traceless reactivity enhancer ch arylation, Physical Organic Chemistry: Addition, Elimination, and Substitution Reactions and other aspects.Quality Control of 1-Fluoro-2-methoxybenzene

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Dhital, Raghu Nath; Nomura, Keigo; Sato, Yoshinori; Haesuwannakij, Setsiri; Ehara, Masahiro; Sakurai, Hidehiro published an article in 2020, the title of the article was Pt-Pd Nanoalloy for the Unprecedented Activation of Carbon-Fluorine Bond at Low Temperature.Product Details of 321-28-8 And the article contains the following content:

Carbon-fluorine bonds are considered the most inert organic functionality and their selective transformation under mild conditions remains challenging. Herein, we report a highly active Pt-Pd nanoalloy as a robust catalyst for the transformation of C-F bonds into C-H bonds at low temperature, a reaction that has hitherto often required harsh conditions. The alloying of Pt with Pd is crucial to promote the overall C-F bond. DFT calculations elucidated that the key step is the selective oxidative addition of the O-H bond of 2-propanol to a Pd center prior to C-F bond activation at a Pt site, which crucially reduces the activation energy of the C-F bond cleavage. Therefore, both Pt and Pd work independently but synergistically to promote the overall reaction. The experimental process involved the reaction of 1-Fluoro-2-methoxybenzene(cas: 321-28-8).Product Details of 321-28-8

The Article related to aryl fluoride hydrodefluorination platinum palladium nanoalloy catalyst, Physical Organic Chemistry: Addition, Elimination, and Substitution Reactions and other aspects.Product Details of 321-28-8

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On July 17, 2020, Wu, Chen; McCollom, Samuel P.; Zheng, Zhipeng; Zhang, Jiadi; Sha, Sheng-Chun; Li, Minyan; Walsh, Patrick J.; Tomson, Neil C. published an article.SDS of cas: 321-28-8 The title of the article was Aryl Fluoride Activation through Palladium-Magnesium Bimetallic Cooperation: A Mechanistic and Computational Study. And the article contained the following:

Herein is described a mechanistic study of a palladium-catalyzed cross-coupling of aryl Grignard reagents to fluoroarenes that proceeds via a low-energy heterobimetallic oxidative addition pathway. Traditional oxidative additions of aryl chlorides to Pd complexes are known to be orders of magnitude faster than with aryl fluorides, and many palladium catalysts do not activate aryl fluorides at all. The exptl. and computational studies outlined herein, however, support the view that at elevated Grignard/ArX ratios (i.e., 2.5:1), a Pd-Mg heterobimetallic mechanism predominates, leading to a remarkable decrease in the energy required for Ar-F bond activation. The heterobimetallic transition state for the C-X bond cleavage is proposed to involve simultaneous Pd backbonding to the arene and Lewis acid activation of the halide by Mg to create a low-energy transition state for oxidative addition The insights gained from this computational study led to the development of a phosphine ligand that was shown to be similarly competent for Ar-F bond activation. The experimental process involved the reaction of 1-Fluoro-2-methoxybenzene(cas: 321-28-8).SDS of cas: 321-28-8

The Article related to palladium catalyzed kumada cross coupling aryl grignard reagent fluoroarene, Physical Organic Chemistry: Addition, Elimination, and Substitution Reactions and other aspects.SDS of cas: 321-28-8

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Venturini, Francesco; Navarrini, Walter; Famulari, Antonino; Sansotera, Maurizio; Dardani, Patrizia; Tortelli, Vito published an article in 2012, the title of the article was Direct trifluoro-methoxylation of aromatics with perfluoro-methyl-hypofluorite.Product Details of 321-28-8 And the article contains the following content:

The reactivity of CF3OF (FTM) has been widely studied especially in halogenated olefinic systems and its use in pharmaceutical synthesis as a mild radical and electrophilic fluorinating agent is well documented. On the other hand, the chem. behavior of the perfluoromethyl hypofluorite with aromatic substrates is much less studied. Up to now few and scattered data regarding its use as electrophilic fluorinating agent of variously substituted aromatic compounds are found in the literature. In this work the reactivity of CF3OF with simple electron rich and electron poor aromatics (α,α,α-trifluorotoluene, toluene, benzene, chlorobenzene, methoxybenzene) has been investigated. The possibility of selectively bind the trifluoromethoxy group (via radical mechanism) or the fluorine atom (via electrophilic addition) by varying the reaction conditions has been explored. In particular we have observed that the trifluoromethoxy free radical substitution can be the main synthetic pathway if the reaction is promoted by an independent and steady source of CF3O radical. The experimental process involved the reaction of 1-Fluoro-2-methoxybenzene(cas: 321-28-8).Product Details of 321-28-8

The Article related to direct trifluoromethoxylation aromtic compound perfluoromethyl hypofluorite, Physical Organic Chemistry: Addition, Elimination, and Substitution Reactions and other aspects.Product Details of 321-28-8

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem