Category: 1779-49-3

《Prediction of Electrical Conductivity of Deep Eutectic Solvents Using COSMO-RS Sigma Profiles as Molecular Descriptors: A Quantitative Structure-Property Relationship Study》 was written by Lemaoui, Tarek; Darwish, Ahmad S.; Hammoudi, Nour El Houda; Abu Hatab, Farah; Attoui, Ayoub; Alnashef, Inas M.; Benguerba, Yacine. SDS of cas: 1779-49-3 And the article was included in Industrial & Engineering Chemistry Research in 2020. The article conveys some information:

This work presents the development of mol.-based math. models for the prediction of elec. conductivity of deep eutectic solvents (DESs). Two new quant. structure-property relation (QSPR) models based on conductor-like screening model for real solvent (COSMO-RS) mol. charge d. distributions (Sσ-profiles) were developed using the data obtained from the literature. The data comprise 236 exptl. elec. conductivity measurements for 21 ammonium- and phosphonium-based DESs, covering a wide range of temperatures and molar ratios. First, the hydrogen-bond acceptors (HBAs) and hydrogen-bond donors (HBDs) of each DES were successfully modeled using COSMO-RS. Then, the calculated Sσ-profiles were used as mol. descriptors. The relation between the conductivity and the descriptors in both models was expressed via multiple linear regression. The first model accounted for the structure of the HBA, the HBD, the molar ratio, and temperature, whereas the second model addnl. incorporated the interactions between the mol. descriptors. By accounting for the interactions, the regression coefficient (R2) of the predictive model can be increased from 0.801 to 0.985. Addnl., the scope and reliability of the models were further assessed using the applicability domain anal. The findings showed that QSPR models based on Sσ-profiles as mol. descriptors are excellent at describing the properties of DESs. Accordingly, the obtained model in this work can be used as a useful guideline in selecting DESs with the desired elec. conductivity for industrial applications.Methyltriphenylphosphonium bromide(cas: 1779-49-3SDS of cas: 1779-49-3) was used in this study.

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is an organophosphorus compound, with potential use as a precursor and a solvent in organic synthesis. And it is used widely for methylenation via the Wittig reaction.SDS of cas: 1779-49-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Cationic Co(I)-Intermediates for Hydrofunctionalization Reactions: Regio- and Enantioselective Cobalt-Catalyzed 1,2-Hydroboration of 1,3-Dienes》 were Duvvuri, Krishnaja; Dewese, Kendra R.; Parsutkar, Mahesh M.; Jing, Stanley M.; Mehta, Milauni M.; Gallucci, Judith C.; RajanBabu, T. V.. And the article was published in Journal of the American Chemical Society in 2019. Product Details of 1779-49-3 The author mentioned the following in the article:

Much of the recent work on catalytic hydroboration of alkenes has focused on simple alkenes and styrene derivatives with few examples of reactions of 1,3-dienes, which are reported to undergo mostly 1,4-additions to give allylic boronates. Reduced Co catalysts generated from 1,n-bis-diphenylphosphinoalkane complexes [Ph2P-(CH2)n-PPh2]CoX2; (n = 1-5) or from (2-oxazolinyl)phenyldiarylphosphine complexes [(G-PHOX)CoX2] (G = 4-substituent on oxazoline ring) effect selective 1,2-, 1,4-, or 4,3-additions of pinacolborane (HBPin) to a variety of 1,3-dienes depending on the ligands chosen. Conditions optimize the 1,2-additions The reactive catalysts can be generated from the Co(II)-complexes using trimethylaluminum, Me aluminoxane, or activated Zn in the presence of Na tetrakis[(3,5-trifluoromethyl)phenyl]borate (NaBARF). The complex, (dppp)CoCl2, gives the best results (ratio of 1,2- to 1,4-addition >95:5) for a variety of linear terminal 1,3-dienes and 2-substituted 1,3-dienes. The [(PHOX)CoX2] (X = Cl, Br) complexes give mostly 1,4-addition with linear unsubstituted 1,3-dienes, but, surprisingly, selective 1,2-additions with 2-substituted or 2,3-disubstituted 1,3-dienes. Isolated and fully characterized (x-ray crystallog.) Co(I)-complexes, (dppp)3Co2Cl2 and [(S,S)-BDPP]3Co2Cl2, do not catalyze the reaction unless activated by a Lewis acid or NaBARF, suggesting a key role for a cationic Co(I) species in the catalytic cycle. Regio- and enantioselective 1,2-hydroborations of 2-substituted 1,3-dienes are best accomplished using a catalyst prepared via activation of a chiral phosphinooxazoline-Co(II) complex with Zn and NaBARF. A number of common functional groups, among them, -OBn, -OTBS, -OTs, N-phthalimido- groups, are tolerated, and er’s > 95:5 were obtained for several dienes including 1-alkenylcycloalk-1-enes. This operationally simple reaction expands the realm of asym. hydroboration to provide direct access to a number of nearly enantiopure homoallylic boronates, which are not readily accessible by current methods. The resulting boronates were converted into the corresponding alcs., K trifluororoborate salts, N-BOC amines, and aryl derivatives by C-BPin to C-aryl transformation. The results came from multiple reactions, including the reaction of Methyltriphenylphosphonium bromide(cas: 1779-49-3Product Details of 1779-49-3)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is an organophosphorus compound, with potential use as a precursor and a solvent in organic synthesis. And it is used widely for methylenation via the Wittig reaction.Product Details of 1779-49-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Thermally Controlled On/Off Switch in a Living Anionic Polymerization of 1-Cyclopropylvinylbenzene with an Anion Migrated Ring-Opening Mechanism》 was written by Bai, Hongyuan; Leng, Xuefei; Han, Li; Yang, Lincan; Li, Chao; Shen, Heyu; Lei, Lan; Zhang, Songbo; Wang, Xuefei; Ma, Hongwei. HPLC of Formula: 1779-49-3 And the article was included in Macromolecules (Washington, DC, United States) in 2020. The article conveys some information:

A reversible on/off switch to control chain growth in a living anionic polymerization is a meaningful challenge for its profound potential in both polymerization mechanisms and the preparation of advanced materials. Herein, we report a thermally controlled on/off switch for chain propagation in an anionic polymerization that is realized with a 1-cyclopropylvinylbenzene (CPVB) monomer. Interestingly, the specific ring-opening manner and thermal sensitivity are shown in the addition reaction of CPVB with the initiator or living chains. The ring opening of the cyclopropyl group in CPVB is observed to be a possible anion migrated ring-opening mechanism in the addition reactions. Addnl., the polymerization of CPVB occurs only at high temperature, and the chain growth constant kCC is near 0 at 20°C, 0.0039 (L/mol)1/2 min-1 at 50°C, and 0.016 (L/mol)1/2 min-1 at 60°C. Thus, based on its unique characteristics, an ingenious design of “”heat (60°C)-cool (20°C)”” cycles is employed to achieve a thermally controlled on/off switch for chain growth in an anionic polymerization It is expected that this finding can provide new insights into both controlling the monomer or multiblock sequence and raise a novel technique to stage control the chain growth with temperatures in living anionic polymerization In addition to this study using Methyltriphenylphosphonium bromide, there are many other studies that have used Methyltriphenylphosphonium bromide(cas: 1779-49-3HPLC of Formula: 1779-49-3) was used in this study.

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is a lipophilic molecule with a cation allowing for it to be used to deliver molecules to specific cell components. Also considered an antineoplastic agent.HPLC of Formula: 1779-49-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Bai, Hongyuan; Han, Li; Li, Wei; Li, Chao; Zhang, Songbo; Wang, Xuefei; Yin, Yu; Yan, Hong; Ma, Hongwei published their research in Macromolecules (Washington, DC, United States) in 2021. The article was titled 《C5 and C6 Polymerizations by Anion Migrated Ring-Opening of 1-Cyclopropylvinylbenzene and 1-Cyclobutylvinylbenzene》.Category: bromides-buliding-blocks The article contains the following contents:

As an emerging method, anion migrated ring-opening polymerization (AMROP) can effectively regulate the carbon skeletons of polymer backbones with specific vinyl monomers. As reported here, polymers with C5 and C6 skeletons were synthesized by AMROP of 1-cyclopropylvinylbenzene (CPVB) and 1-cyclobutylvinylbenzene (CBVB). Moreover, C4 polymerization of 1-phenyl-1,3-butadiene (1-PB) was also conducted (in a general anionic polymerization process) for comparison with C5 and C6 polymerizations Among the three base polymers prepared with the C4, C5, and C6 polymerizations, PCBVB exhibited the most flexible carbon skeleton structure and the lowest glass transition temperature (Tg = -18.8°C). Then, the resultant base polymers with different carbon skeletons were hydrogenated and cyclized. The hydrogenation of P(1-PB), PCPVB, and PCBVB resulted in the formation of products with unique alternating styrene/ethylene (alt-SE), periodic styrene/ethylene/methylene (pd-SEM), and periodic styrene/ethylene/ethylene (pd-SEE) structures. Moreover, pd-SEM and pd-SEE can be considered as sequence-defined template polymers, and these structures cannot be synthesized through general copolymerization of styrene and ethylene. Owing to the specific carbon skeletons exhibited in alt-SE, pd-SEM, and pd-SEE, their Tg values showed significant differences (24.6, 10.9, and -6.0°C, resp.). Addnl., the specific carbon skeletons of the base polymers resulted in the formation of cyclized polymers with different annular substituents. Moreover, diverse annular substitutes endowed the cyclized polymers with prominent thermal resistance and luminescence properties. Through the above investigations, it is clearly demonstrated that small changes in carbon skeleton structure can remarkably affect the polymer properties. Moreover, AMROP provides a new strategy to design novel polymers with C5 and C6 skeleton structures.Methyltriphenylphosphonium bromide(cas: 1779-49-3Category: bromides-buliding-blocks) was used in this study.

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is used for methylenation through the Wittig reaction. It is utilized in the synthesis of an enyne and 9-isopropenyl -phenanthrene by using sodium amide as reagent. Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,Journal of the American Chemical Society included an article by Daub, Mary Elisabeth; Jung, Hoimin; Lee, Byung Joo; Won, Joonghee; Baik, Mu-Hyun; Yoon, Tehshik P.. Safety of Methyltriphenylphosphonium bromide. The article was titled 《Enantioselective [2+2] Cycloadditions of Cinnamate Esters: Generalizing Lewis Acid Catalysis of Triplet Energy Transfer》. The information in the text is summarized as follows:

We report the enantioselective [2+2] cycloaddition of simple cinnamate esters, the products of which are useful synthons for the controlled assembly of cyclobutane natural products. This method utilizes a cocatalytic system in which a chiral Lewis acid accelerates the transfer of triplet energy from an excited-state Ir(III) photocatalyst to the cinnamate ester. Computational evidence indicates that the principal role of the Lewis acid cocatalyst is to lower the absolute energies of the substrate frontier MOs, leading to greater electronic coupling between the sensitizer and substrate and increasing the rate of the energy transfer event. These results suggest Lewis acids can have multiple beneficial effects on triplet sensitization reactions, impacting both the thermodn. driving force and kinetics of Dexter energy transfer. In the part of experimental materials, we found many familiar compounds, such as Methyltriphenylphosphonium bromide(cas: 1779-49-3Safety of Methyltriphenylphosphonium bromide)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is an organophosphorus compound, with potential use as a precursor and a solvent in organic synthesis. And it is used widely for methylenation via the Wittig reaction.Safety of Methyltriphenylphosphonium bromide

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2022,Santra, Somtirtha; Maharana, Debasis; Kotecha, Prakash; Banerjee, Tamal published an article in Industrial & Engineering Chemistry Research. The title of the article was 《Process Simulation and Multiobjective Optimization for High-Purity Hexane Recovery Using Deep Eutectic Solvent》.Name: Methyltriphenylphosphonium bromide The author mentioned the following in the article:

Deep eutectic solvents (DESs) are an exptl. proven and attractive solvent in the field of green chem. for aromatic extraction from a mixture of aliphatic-aromatic mixtures The current work reports a multiscale strategy using quantum chem. calculations, thermodn. models, process simulation, and multiobjective optimization for the simultaneous production of high-purity hexane and aromatic removal using the DES Me tri-Ph phosphonium bromide/ethylene glycol (1:4). Initially the phase equilibrium data have been benchmarked through the continuum solvation-based COSMO-SAC model, which has a root-mean-square deviation of 5.81%. Thereafter, a conceptual multiloop extraction and solvent recovery process has been developed and simulated that incorporates sensitivity anal. to analyze the impact of different process parameters on the system. These parameters, namely, annualized capital cost, benzene content in the hexane product stream, and hexane recovery, have been further formulated as three sep. objective functions to be optimized using a nondominated sorting genetic algorithm. After optimization, a series of solutions have been obtained from the Pareto front. The results provide 92% hexane recovery with a benzene concentration of less than 50 ppm. This shall enable the industrial production of high-purity hexane using efficient and sustainable green solvents. The experimental process involved the reaction of Methyltriphenylphosphonium bromide(cas: 1779-49-3Name: Methyltriphenylphosphonium bromide)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is an organophosphorus compound, with potential use as a precursor and a solvent in organic synthesis. And it is used widely for methylenation via the Wittig reaction.Name: Methyltriphenylphosphonium bromide

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Related Products of 1779-49-3In 2019 ,《Effect of the Substituent Position on the Anionic Copolymerization of Styrene Derivatives: Experimental Results and Density Functional Theory Calculations》 appeared in Macromolecules (Washington, DC, United States). The author of the article were Johann, Tobias; Leibig, Daniel; Grune, Eduard; Mueller, Axel H. E.; Frey, Holger. The article conveys some information:

In a combined synthetic, kinetic and theor. study, the living anionic copolymerization of styrene and its ring-methylated derivatives ortho-, meta-, and para-methylstyrene (MS) was examined by real-time 1H NMR spectroscopy in the nonpolar solvents toluene-d8 and cyclohexane-d12 as well as by d. functional theory calculations Based on the NMR kinetics data, reactivity ratios for each comonomer pair were determined by the Kelen-Tudos method and numerical integration of the copolymerization equation (Contour software). The reaction pathway was modeled and followed by d. functional theory (DFT) calculations to validate and predict the exptl. derived reactivity ratios. Unexpectedly, two of the three styrene derivatives showed completely different reactivities in copolymerization, governed by the position of the Me group. While para-MS is considerably less reactive than styrene, resulting in gradient copolymers (rS = 2.62; rpMS = 0.37), ortho-MS showed the opposite behavior and is more reactive than styrene (rS = 0.44; roMS = 2.47), leading to a reversal of the copolymers’ gradient. The substitution in the meta-position had nearly no influence on monomer reactivity, and copolymers with close to random comonomer distribution were formed (rS = 0.81; rmMS = 1.21). In all cases, the theor. calculations showed good to excellent agreement with the exptl. data. Monomer reactivities correlate with the chem. shifts of the β-carbon signals in 13C NMR spectra that are predictive for the gradient structure. The results demonstrate the possibility of tailoring and validating the polymer structures of functional polystyrene copolymers by the choice of the substitution pattern of styrene derivatives, using both exptl. and theor. approaches. In the part of experimental materials, we found many familiar compounds, such as Methyltriphenylphosphonium bromide(cas: 1779-49-3Related Products of 1779-49-3)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is a lipophilic molecule with a cation allowing for it to be used to deliver molecules to specific cell components. Also considered an antineoplastic agent.Related Products of 1779-49-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Application of 1779-49-3In 2019 ,《Rhodium(III) vs. cobalt(III): a mechanistically distinct three-component C-H bond addition cascade using a Cp*RhIII catalyst》 appeared in Chemical Communications (Cambridge, United Kingdom). The author of the article were Li, Ruirui; Ju, Cheng-Wei; Zhao, Dongbing. The article conveys some information:

Three-component C-H bond additions across two different coupling partners remain underdeveloped. Herein, we report the first three-component RhIII-catalyzed C-H bond additions to a wide range of dienes and aldehydes. Our method constitutes a complementary access with Ellman’s CoIII-catalytic system to homoallylic alcs. The results came from multiple reactions, including the reaction of Methyltriphenylphosphonium bromide(cas: 1779-49-3Application of 1779-49-3)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is a lipophilic molecule with a cation allowing for it to be used to deliver molecules to specific cell components. Also considered an antineoplastic agent.Application of 1779-49-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Combined Extractive Dearomatization, Desulfurization, and Denitrogenation of Oil Fuels Using Deep Eutectic Solvents: A Parametric Study》 was published in Industrial & Engineering Chemistry Research in 2020. These research results belong to Warrag, Samah E. E.; Darwish, Ahmad S.; Abuhatab, Farah O. S.; Adeyemi, Idowu A.; Kroon, Maaike C.; AlNashef, Inas M.. Application In Synthesis of Methyltriphenylphosphonium bromide The article mentions the following:

Industrially, deep dearomatization of oil fuels is achieved via catalytic hydrodearomatization (HDA). However, this process suffers from several drawbacks. The most pronounced disadvantages are the intensive energy consumption and the low efficiency toward some aromatic species. With the aim of lowering energy consumption as well as improving the removal efficiency of this process, selective liquid-liquid extraction was proposed in this work. A phosphonium-based deep eutectic solvent (DES) composed of methyltriphenylphosphonium bromide (MTPPBr) and triethylene glycol (TEG) in a molar ratio equal to 1:4 (MTPPBr/TEG) was selected for this investigation. The DES was characterized by its water content, d., viscosity, and degradation temperature Toluene, thiophene, and quinoline were selected to represent the aromatic species in the oil. However, the oil fuel was represented by n-heptane. Next, the solubility of toluene, thiophene, quinoline, and n-heptane in the pure TEG and MTPPBr/TEG was measured at 298.2 K and 1.01 bar. To assess the selectivities and the solute distribution coefficients of the DES for each compound, liquid-liquid equilibrium (LLE) data for the systems {toluene + n-heptane + MTPPBr/TEG}, {thiophene + n-heptane + MTPPBr/TEG}, and {quinoline + n-heptane + MTPPBr/TEG} were reported at 298.2 K and 1.01 bar. Afterward, a parametric study on an arbitrary oil model of {20% toluene + 2% thiophene + 2% quinoline + 76% n-heptane} was conducted by first testing the single-stage liquid-liquid extraction efficiency for each impurity “”toluene, thiophene, and quinoline”” at 298.2 K and 1.01 bar. Then, the effects of various operating parameters including the extraction temperature, the solvent-to-feed ratio (S/F), and the initial concentration of the impurity were investigated. Moreover, the number of extraction stages was estimated Finally, the effect of the repetitive use of DES as well as the possibility of DES regeneration was studied. The experimental process involved the reaction of Methyltriphenylphosphonium bromide(cas: 1779-49-3Application In Synthesis of Methyltriphenylphosphonium bromide)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is an organophosphorus compound, with potential use as a precursor and a solvent in organic synthesis. And it is used widely for methylenation via the Wittig reaction.Application In Synthesis of Methyltriphenylphosphonium bromide

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Piezoelectric Energy Harvesting from a Ferroelectric Hybrid Salt [Ph3MeP]4[Ni(NCS)6] Embedded in a Polymer Matrix》 was written by Vijayakanth, Thangavel; Ram, Farsa; Praveenkumar, Balu; Shanmuganathan, Kadhiravan; Boomishankar, Ramamoorthy. Quality Control of Methyltriphenylphosphonium bromide And the article was included in Angewandte Chemie, International Edition in 2020. The article conveys some information:

Organic-inorganic hybrid ferroelecs. are an exciting class of mol. materials with promising applications in the area of energy and electronics. The synthesis, ferroelec. and piezoelec. energy harvesting behavior of a 3d metal ion-containing A4BX6 type organic-inorganic hybrid salt [Ph3MeP]4[Ni(NCS)6] (1) is now presented. P-E hysteresis loop studies on 1 show a remnant ferroelec. polarization value of 18.71 μC cm-2, at room temperature Composite thermoplastic polyurethane (TPU) devices with 5, 10, 15 and 20 wt % compositions of 1 were prepared and employed for piezoelec. energy harvesting studies. A maximum output voltage of 19.29 V and a calculated power d. value of 2.51 mW cm-3 were observed for the 15 wt % 1-TPU device. The capacitor charging experiments on the 15 wt % 1-TPU composite device shows an excellent energy storage performance with the highest stored energies and measured charges of 198.8 μJ and 600 μC, resp. After reading the article, we found that the author used Methyltriphenylphosphonium bromide(cas: 1779-49-3Quality Control of Methyltriphenylphosphonium bromide)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is an organophosphorus compound, with potential use as a precursor and a solvent in organic synthesis. And it is used widely for methylenation via the Wittig reaction.Quality Control of Methyltriphenylphosphonium bromide

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary