Tag: 200-300

The author of 《Molecular dynamics of 4-cyano-3-fluorophenyl 4-butylbenzoate (4CFPB) glass-forming liquid crystal in unidirectional silicon nanopores》 were Rozwadowski, Tomasz; Massalska-Arodz, Maria; Krawczyk, Jan; Juszynska-Galazka, Ewa. And the article was published in Liquid Crystals in 2014. Application of 86776-52-5 The author mentioned the following in the article:

Complex dynamics of 4-cyano-3-fluorophenyl 4-butylbenzoate (4CFPB) in cylindrical non-intersecting nanopores, mean diameters 6 nm and 8 nm was studied by broadband dielec. spectroscopy. For relaxation processes ascribed to the flip-flop, reptation-like and collective motions, the short- and long-range time correlations were estimated and discussed. Size effect and differences in ordering of mols. in pores during cooling and heating runs were found. On cooling, vitrification occurred in pores, similarly as in bulk, while on heating two-step ordering of mols. along pore walls was evidenced by subsequent diminishing of ε”max(T). Explanation based on data concerning solid state polymorphism of 4CFPB in bulk is given. The experimental part of the paper was very detailed, including the reaction process of 4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5Application of 86776-52-5)

4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5) is a member of aromaticfluorinated building blocks. Depending on which substituents are present, fluoroaromatic intermediates can be converted into fluorinated or fluorine-free commercial end products.Fluorine-containing aromatics have been incorporated into drugs (hypnotics, tranquilizers, antiinflammatory agents, analgesics, antibacterials).Application of 86776-52-5

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2022,Yuan, Shou; Zhang, Yuefa; Chen, Junwu; Yu, Yuan; Yue, Lingtai; Sun, Qikun; Zhang, Haichang; Xue, Shanfeng; Yang, Wenjun published an article in Advanced Optical Materials. The title of the article was 《Effectively Unlocking the Potential Molecular Room Temperature Phosphorescence of Pure Carbazole Derivatives》.Formula: C7H3BrFN The author mentioned the following in the article:

The current prevailing views are that carbazole derivatives without isomers show inferior room temperature phosphorescence (RTP) and that N-aryl carbazole derivatives exhibit no ultralong RTP in dilute film states since the distorted structures easily dissipate the excitation energy. In the current work, we present that doping N-aryl carbazole derivatives with heteroatoms and/or heavy halogen into PMMA at the mol. level by thermoplasticizing solution-cast films can achieve ultra-long-lived (>1 s) and highly-efficient (>36%) mol. RTP without the need of crystallization and isomer doping. Unlike isomer-doped crystals that almost all emit yellow RTP, the RTP colors of doped PMMA films depend on the mol. structures of carbazole derivatives Also, we can realize highly efficient and long-lived red fluorescence afterglow via persistent Forster resonance energy transfer from RTP emission to fluorescent emitter. These colorful afterglow polymer films exhibit an ultra-long (>20 h) photo-activation pattern memory effect. This work has challenged existing exptl. results and relative RTP mechanisms, providing a reasonable processing strategy for manifesting and enhancing the deserved RTP properties of organic doped polymers. The experimental part of the paper was very detailed, including the reaction process of 4-Bromo-2-fluorobenzonitrile(cas: 105942-08-3Formula: C7H3BrFN)

4-Bromo-2-fluorobenzonitrile(cas:105942-08-3) is used as a reagent in the synthesis of picolinamide derivatives as a novel class of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors.Formula: C7H3BrFN 4-Bromo-2-fluorobenzonitrile is also used in the preparation of fluorinated CB2 receptor agonists for PET imaging.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

《High-Contrast Polymorphic Luminogen Formed through Effect of Tiny Differences in Intermolecular Interactions on the Intramolecular Charge Transfer Process》 was published in Advanced Optical Materials in 2020. These research results belong to Wang, Kang; Xie, Yujun; Liu, Ming; Tao, Wei; Zhang, Hao; Huang, Meidong; You, Jinmao; Liu, Ying; Li, Yunliang; Li, Zhen; Dong, Yong Qiang. Category: nitriles-buliding-blocks The article mentions the following:

Polymorphic luminogens provide the opportunity to disclose relation between the packing patterns and performance of luminogen and facilitate design of high performance luminogens. However, the effect of intramol. charge transfer (ICT) is seldom used to construct luminogens with polymorphs, though the ICT process is very sensitive to microenvironment. In this work, 2-(3-(diphenylamino)-9H-xanthen-9-ylidene)-malononitrile (DPAXM, 1) with donor-acceptor structure exhibits high contrast polymorphism dependent emission due to the effect of tiny differences of intermol. interactions on ICT process. Three crystals of 1 with nearly identical structures emit yellow, orange, and red light with sequentially decreased efficiency which is attributed to ICT process modulated by the tiny differences in intermol. interactions. In addition to ground state study, excited state of the polymorphs is investigated by time-resolved ultrafast transient mid-IR spectroscopy and theor. calculation Nonemissive crystals of 1 can also be obtained. The modulation of ICT effect by intermol. interactions may provide a reference for the mol. design of high-performance luminogens. The results came from multiple reactions, including the reaction of 4-Bromo-2-fluorobenzonitrile(cas: 105942-08-3Category: nitriles-buliding-blocks)

4-Bromo-2-fluorobenzonitrile(cas:105942-08-3) is used as a reagent in the synthesis of picolinamide derivatives as a novel class of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors.Category: nitriles-buliding-blocks 4-Bromo-2-fluorobenzonitrile is also used in the preparation of fluorinated CB2 receptor agonists for PET imaging.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2017,Szilvasi, Tibor; Roling, Luke T.; Yu, Huaizhe; Rai, Prabin; Choi, Sangwook; Twieg, Robert J.; Mavrikakis, Manos; Abbott, Nicholas L. published 《Design of Chemoresponsive Liquid Crystals through Integration of Computational Chemistry and Experimental Studies》.Chemistry of Materials published the findings.Recommanded Product: 105942-08-3 The information in the text is summarized as follows:

We report the use of computational chem. methods to design a chem. responsive liquid crystal (LC). Specifically, we used electronic structure calculations to model the binding of nitrile-containing mesogens (4′-n-pentyl-4-biphenylcarbonitrile) to metal perchlorate salts (with explicit description of the perchlorate anion), which we call the coordinately saturated anion model (CSAM). The model results were validated against exptl. data. We then used CSAM to predict that selective fluorination can reduce the strength of binding of nitrile-containing nematic LCs to metal salt-decorated surfaces and thus generate a faster reordering of LC in response to competitive binding of dimethylmethylphosphonate (DMMP). We tested this prediction via synthesis of fluorinated compounds 3-fluoro-4′-pentyl[1,1′-biphenyl]-4-carbonitrile and 4-fluoro-4′-pentyl-1,1′-biphenyl, and subsequent exptl. measurements of the orientational response of LCs containing these compounds to DMMP. These exptl. measurements confirmed the theor. predictions, thus providing the first demonstration of a chemoresponsive LC system designed from computational chem. The experimental part of the paper was very detailed, including the reaction process of 4-Bromo-2-fluorobenzonitrile(cas: 105942-08-3Recommanded Product: 105942-08-3)

4-Bromo-2-fluorobenzonitrile(cas:105942-08-3) is used as a reagent in the synthesis of picolinamide derivatives as a novel class of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors.Recommanded Product: 105942-08-3 4-Bromo-2-fluorobenzonitrile is also used in the preparation of fluorinated CB2 receptor agonists for PET imaging.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

《Cobalt-catalyzed acylation-reactions of (hetero)arylzinc pivalates with thiopyridyl ester derivatives》 was written by Lutter, Ferdinand H.; Grokenberger, Lucie; Hofmayer, Maximilian S.; Knochel, Paul. Product Details of 105942-08-3This research focused onthiopyridyl ester hetero arylzinc pivalate acylation catalyst; aryl ketone preparation. The article conveys some information:

A cobalt-catalyzed acylation reaction of various primary, secondary and tertiary alkyl, benzyl and (hetero)aryl S-pyridyl thioesters with (hetero)arylzinc pivalates was reported. The thioesters were prepared directly from the corresponding carboxylic acids under mild conditions, thus tolerating sensitive functional groups. Acylations of α-chiral S-pyridyl esters proceeded with very high stereoretention leaded to optically enriched α-chiral ketones.4-Bromo-2-fluorobenzonitrile(cas: 105942-08-3Product Details of 105942-08-3) was used in this study.

4-Bromo-2-fluorobenzonitrile(cas:105942-08-3) is used as a OLED intermediate, Pharmaceutical, electronic and chemical intermediate.Product Details of 105942-08-3 It is used in the synthesis of heterocycles and liquid crystals.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2020,Organic Chemistry Frontiers included an article by Xiao, Qiang; Liu, Jin; Nie, Jia-Hui; Kong, Ling-Bin; Lin, Jun; Yan, Sheng-Jiao. Application of 50743-32-3. The article was titled 《Silver-catalyzed cascade reactions of 3-cyanochromone with 1,1-enediamines: synthesis of highly functionalized 2-(pyridin-3-yl)-chromeno[2,3-d]pyrimidines》. The information in the text is summarized as follows:

A novel protocol for the construction of highly functionalized 2-(pyridin-3-yl)-chromeno[2,3-d]pyrimidines I [R = H, Me, Cl, Br, i-Pr; R1 = Me, Ph, 4-ClC6H4(CH2)2, etc.] (PCPMDs) from 3-cyanochromones with 1,1-enediamines via an unprecedented cascade reaction was developed by simply refluxing under the catalysis of silver carbonate. As a result, a series of 2-(pyridin-3-yl)-chromeno[2,3-d]pyrimidines I was obtained through a novel cascade reaction involving an amazing electrocyclization mechanism of a cyano group with α,β-unsaturated nitriles. This reaction formation of compounds I was accompanied by the formation of four bonds and the cleavage of one bond in one step. This protocol could be used for the synthesis of various pyridin-3-yl-substituted complex pyrimidine derivatives, and it was suitable for combinatorial and parallel synthesis of PCPMD drugs or natural-like products. In the experiment, the researchers used 6-Isopropyl-4-oxo-4H-chromene-3-carbonitrile(cas: 50743-32-3Application of 50743-32-3)

6-Isopropyl-4-oxo-4H-chromene-3-carbonitrile(cas: 50743-32-3) belongs to nitriles. Nitriles are found in many useful compounds. Nitrile rubber is also widely used as automotive and other seals since it is resistant to fuels and oils. Application of 50743-32-3 Industrially, the main methods for producing nitriles are ammoxidation and hydrocyanation. Both routes are green in the sense that they do not generate stoichiometric amounts of salts.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2020,Liquid Crystals included an article by Moura Ramos, Joaquim J.; Diogo, Herminio P.. Recommanded Product: 4-Cyano-3-fluorophenyl 4-butylbenzoate. The article was titled 《Phase behavior and slow molecular dynamics in the glassy state and in the glass transformation of a nematic liquid crystal: 4CFPB》. The information in the text is summarized as follows:

The mol. mobility in 4-cyano-3-fluorophenyl 4-butylbenzoate (4CFPB), a nematic liquid crystal, was studied by differential scanning calorimetry (DSC) and thermally stimulated depolarization currents (TSDC). By TSDC a complex behavior was observed in which the main relaxation, with a wide distribution of activation energies, coalesces at high temperature with a poorly distributed mobility; this observation is in line with what was found by dielec. spectroscopy where a ‘double relaxation’ was observed The step signal of the positional glass transition in DSC is a single and clean signal, which shows no evidence of the complexity revealed by the dielec. techniques; this signal seems to correspond to the usual main relaxation. The dynamic fragility values obtained by DSC and by TSDC indicate that 4CFPB is a moderately fragile glass former, in reasonable agreement with the values obtained by dielec. spectroscopy. Among the secondary relaxations in 4CFPB there are modes sensitive to phys. aging, which makes them candidates for Johari-Goldstein’s relaxation status. It is emphasized, however, that this sensitivity to aging may not be a sufficient criterion for the attribution of this quality. In the experimental materials used by the author, we found 4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5Recommanded Product: 4-Cyano-3-fluorophenyl 4-butylbenzoate)

4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5) is a member of aromaticfluorinated building blocks. Depending on which substituents are present, fluoroaromatic intermediates can be converted into fluorinated or fluorine-free commercial end products.Fluorine-containing aromatics have been incorporated into drugs (hypnotics, tranquilizers, antiinflammatory agents, analgesics, antibacterials).Recommanded Product: 4-Cyano-3-fluorophenyl 4-butylbenzoate

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2012,Dyes and Pigments included an article by Ghanadzadeh Gilani, A.; Moghadam, M.; Zakerhamidi, M. S.; Moradi, E.. Electric Literature of C18H16FNO2. The article was titled 《Solvatochromism, tautomerism and dichroism of some azoquinoline dyes in liquids and liquid crystals》. The information in the text is summarized as follows:

Absorption and emission spectra of three hetarylazoquinoline compounds with different substituents were examined in liquids and liquid crystalline solvents for the first time. The spectral features of the hetarylazoquinoline dyes were explained according to azo/hydrazone tautomerism in conjunction with the solvatochromic characteristic of the preferred tautomer. The nature and extent of solute-solvent interactions were described using Kamlet-Taft and Katritzky multiparameter polarity scales. Solvatochromic azo/hydrazone tautomerism depend on multiple solute-solvent interactions, in particular on specific interactions and the solvent ability to transport the hydrogen atom through the media. In addition, anisotropic hosts prevent shift of the tautomeric equilibrium toward the hydrazone form. In the part of experimental materials, we found many familiar compounds, such as 4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5Electric Literature of C18H16FNO2)

4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5) is a member of aromaticfluorinated building blocks. Depending on which substituents are present, fluoroaromatic intermediates can be converted into fluorinated or fluorine-free commercial end products.Fluorine-containing aromatics have been incorporated into drugs (hypnotics, tranquilizers, antiinflammatory agents, analgesics, antibacterials).Electric Literature of C18H16FNO2

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Reference of 4-Cyano-3-fluorophenyl 4-butylbenzoateOn September 26, 1984 ,《The synthesis and transition temperatures of benzoate ester derivatives of 2-fluoro-4-hydroxy- and 3-fluoro-4-hydroxybenzonitriles》 was published in Helvetica Chimica Acta. The article was written by Kelly, Stephen M.. The article contains the following contents:

2-FC6H4OMe was brominated in CHCl3 to 92% 2,4-FBrC6H3OMe which was cyanated to 58% 3,4-F(MeO)C6H3CN. This was demethylated with AlCl3-NaCl to 66% 3,4-F(HO)C6H3CN which was esterified with 4-Me(CH2)4C6H4COCl in PhMe to 62% I [R = Me(CH2)4]. Prepared by the same procedure were 59 other ethers I-IV (R = alkyl, alkoxy). The nematic-isotropic liquid transition temperatures of most of these model esters are only slightly lower than those of the corresponding esters having a H atom in place of F. In several cases, the clearing points of the fluorophenyl esters are higher than those of the unsubstituted Ph esters. The nematic ranges of several of the new esters are markedly broader than those of the analogous non-F substituted Ph esters. In the experiment, the researchers used many compounds, for example, 4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5Reference of 4-Cyano-3-fluorophenyl 4-butylbenzoate)

4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5) is a member of aromaticfluorinated building blocks. Depending on which substituents are present, fluoroaromatic intermediates can be converted into fluorinated or fluorine-free commercial end products.Fluorine-containing aromatics have been incorporated into drugs (hypnotics, tranquilizers, antiinflammatory agents, analgesics, antibacterials).Reference of 4-Cyano-3-fluorophenyl 4-butylbenzoate

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

《Dielectric spectroscopy studies of 4-cyano-3-fluorophenyl 4-butylbenzoate liquid crystal at high pressure》 was written by Rozwadowski, T.; Massalska-Arodz, M.; Juszynska, E.; Krawczyk, J.; Wojnarowska, Z.; Paluch, M.. Related Products of 86776-52-5 And the article was included in Acta Physica Polonica, A on August 31 ,2012. The article conveys some information:

For 4-cyano-3-fluorophenyl 4-butylbenzoate, nematic glass former at ambient pressure, dielec. relaxation studies were performed under elevated pressure. In the isobaric experiment, on cooling the nematic phase two super-Arrhenius α-relaxations, ascribed to the reorientations of mols. around short axes and precession of long mol. axes were found and the Arrhenius β-relaxation related to intramol. motions. Complexity of dynamics at elevated and ambient pressure is similar. Shift towards lower frequencies was found for both α-relaxations.4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5Related Products of 86776-52-5) was used in this study.

4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5) is a member of aromaticfluorinated building blocks. Depending on which substituents are present, fluoroaromatic intermediates can be converted into fluorinated or fluorine-free commercial end products.Fluorine-containing aromatics have been incorporated into drugs (hypnotics, tranquilizers, antiinflammatory agents, analgesics, antibacterials).Related Products of 86776-52-5

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts