Tag: 100-200

Influence of hydrogen bond on the mesomorphic behaviour in urethane based liquid crystalline compounds: Experimental and computer simulation study was written by Korkmaz, Burak;Agtas, Sinem;Sutay, Berkay;Yildirim, Erol;Yilgor, Iskender;Yurtsever, Mine;Senkal, B. Filiz;Gursel, Yesim. And the article was included in Journal of Molecular Liquids in 2020.Product Details of 111-77-3 This article mentions the following:

We present a combined exptl. and theor. study on the novel hydrogen-bonded liquid crystalline complex (UR-LC11) exhibiting both nematic and smectic phases upon cooling. The complex was prepared by mixing 2-(2-methoxyethoxy)ethylbutyl carbamate (UR) as H-bond acceptor with calamitic mesogen 4′-((11-hydroxyundecyl)oxy)-[1,1′-biphenyl]-4-carbonitrile (LC11) as H-bond donor. The complex was characterized by FTIR technique and its liquid crystalline properties were studied by differential scanning calorimetry (DSC) and polarized optical microscope (POM). The exptl. IR spectra were compared with theor. obtained IR spectra by D. Functional Theory (DFT) to suggest the structure of hydrogen-bonded liquid crystal (LC). The mol. dynamics (MD) simulations were performed to understand the impact of hydrogen bonding on the mesomorphic behavior of the complex and the temperature dependency of the transitions between the mesophases. We determined that UR-LC11 is a stable H-bond acceptor/donor type complex and a single H-bond forms between the carbonyl oxygen atom of the amide moiety of UR and the hydrogen atom of the terminal hydroxyl group of the LC11. Although LC11 is present only in nematic liquid crystalline form, the new complex displayed both nematic and smectic phases during cooling. The reason for the two distinctive LC phases was explained by the presence of hydrogen bond interactions, which provides structural flexibility. Besides, H-bond maintains uniaxial rod shape of the mol. to promote self-assembly behavior and induces positional ordering in the smectic phase. The enhancement in the self-assembly of the H-bonded chains in the complex is reflected in the increased ΔH_fusion values. Due to the intermol. π-π interactions of the Ph rings and the formation of strong dipoles on the backbone, especially at the cyanobiphenyl end of the chains, the long-range directional order of the dipoles along their long axes are preserved at elevated temperatures and nematic to isotropic phase transition is observed at around 370 K both exptl. and theor. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Product Details of 111-77-3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) belongs to ethers. Ethers are good solvents partly because they are not very reactive. Most ethers can be cleaved, however, by hydrobromic acid (HBr) to give alkyl bromides or by hydroiodic acid (HI) to give alkyl iodides. Ethers are good solvents partly because they are not very reactive. Most ethers can be cleaved, however, by hydrobromic acid (HBr) to give alkyl bromides or by hydroiodic acid (HI) to give alkyl iodides.Product Details of 111-77-3

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

Mo-Based Oxidizers as Powerful Tools for the Synthesis of Thia- and Selenaheterocycles was written by Franzmann, Peter;Beil, Sebastian B.;Schollmeyer, Dieter;Waldvogel, Siegfried R.. And the article was included in Chemistry – A European Journal in 2019.Reference of 3929-47-3 This article mentions the following:

A highly efficient synthetic protocol for the synthesis of thia- and selenaheterocycles has been developed. By employing a MoCl₅-mediated intramol. dehydrogenative coupling reaction, a broad variety of structural motifs was isolated in yields up to 94 % [e.g., bis(2-(3,4-dimethoxyphenyl)ethyl) disulfide → 4,5-dimethoxybenzothiophene (65 %) in the presence of MoCl₅ + TiCl₄ (2 equiv)]. The electrophilic key transformation is tolerated by several labile moieties like halides and tertiary alkyl groups. Due to the use of disulfide or diselenide precursors, a high atom efficiency was achieved. In the experiment, the researchers used many compounds, for example, 3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3Reference of 3929-47-3).

3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. Electron-deficient reagents are also stabilized by ethers. For example, borane (BH3) is a useful reagent for making alcohols. Pure borane exists as its dimer, diborane (B2H6), a toxic gas that is inconvenient and hazardous to use. Borane forms stable complexes with ethers, however, and it is often supplied and used as its liquid complex with tetrahydrofuran (THF).Reference of 3929-47-3

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

Kinetic trapping of 3D-printable cyclodextrin-based poly(pseudo)rotaxane networks was written by Lin, Qianming;Li, Longyu;Tang, Miao;Uenuma, Shuntaro;Samanta, Jayanta;Li, Shangda;Jiang, Xuanfeng;Zou, Lingyi;Ito, Kohzo;Ke, Chenfeng. And the article was included in Chem in 2021.Formula: C5H12O3 This article mentions the following:

Synthetically trapping kinetically varied (super)structures of mol. assemblies and amplifying them to the macroscale is a promising, yet challenging, approach for the advancement of meta-stable materials. Here, we demonstrated a concerted kinetic trapping design to timely resolve a set of transient polypseudorotaxanes in solution and harness a crop of them via micro-crystallization By installing stopper or speed bump moieties on the polymer axles, meta-stable polypseudorotaxanes with segmented cyclodextrin blocks were hierarchically amplified into crystalline networks of different crosslinking densities at mesoscale and viscoelastic hydrogels with 3D-printability in bulk. We demonstrated simultaneous 3D-printing of two polypseudorotaxane networks from one reactive ensemble and their conversion to heterogeneous polyrotaxane monoliths. Spatially programming the macroscale shapes of these heterogeneous polyrotaxanes enabled the construction of moisture-responsive actuators, in which the shape morphing originated from the different numbers of cyclodextrins interlocked in these polyrotaxane networks. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Formula: C5H12O3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. But on the other hand, ethers undergo cleavage by reaction with acids. The unique properties of ethers (i.e., that they are strongly polar, with nonbonding electron pairs but no hydroxyl group) enhance the formation and use of many reagents. For example, Grignard reagents cannot form unless an ether is present to share its lone pair of electrons with the magnesium atom. Complexation of the magnesium atom stabilizes the Grignard reagent and helps to keep it in solution.Formula: C5H12O3

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

Nanoscale Assembly of CdS/BiVO₄ Hybrids for Coupling Selective Fine Chemical Synthesis and Hydrogen Production under Visible Light was written by Shang, Feng-Kang;Qi, Ming-Yu;Tan, Chang-Long;Tang, Zi-Rong;Xu, Yi-Jun. And the article was included in ACS Physical Chemistry Au in 2022.Formula: C8H10O2 This article mentions the following:

Simultaneously utilizing photogenerated electrons and holes in one photocatalytic system to synthesize value-added chems. and clean hydrogen (H₂) energy meets the development requirements of green chem. Herein, we report a binary material of CdS/BiVO₄ combining one-dimensional (1D) CdS nanorods (NRs) with two-dimensional (2D) BiVO₄ nanosheets (NSs) constructed through a facile electrostatic self-assembly procedure for the selectively photocatalytic oxidation of aromatic alcs. integrated with H₂ production, which exhibits significantly enhanced photocatalytic performance. Within 2 h, the conversion of aromatic alcs. over CdS/BiVO₄-25 was approx. 9-fold and 40-fold higher than that over pure CdS and BiVO₄, resp. The remarkably improved photoactivity of CdS/BiVO₄ hybrids is mainly ascribed to the Z-scheme charge separation mechanism in the 1D/2D heterostructure derived from the interface contact between CdS and BiVO₄, which not only facilitates the separation and transfer of charge carriers, but also maintains the strong reducibility of photogenerated electrons and strong oxidizability of photogenerated holes. It is anticipated that this work will further stimulate interest in the rational design of 1D/2D Z-scheme heterostructure photocatalysts for the selective fine chem. synthesis integrated with H₂ evolution. In the experiment, the researchers used many compounds, for example, (4-Methoxyphenyl)methanol (cas: 105-13-5Formula: C8H10O2).

(4-Methoxyphenyl)methanol (cas: 105-13-5) belongs to ethers. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive. Ethers are good solvents partly because they are not very reactive. Most ethers can be cleaved, however, by hydrobromic acid (HBr) to give alkyl bromides or by hydroiodic acid (HI) to give alkyl iodides.Formula: C8H10O2

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

Customizing the Electrochemical Properties of Carbon Nanodots by Using Quinones in Bottom-Up Synthesis was written by Rigodanza, Francesco;Dordevic, Luka;Arcudi, Francesca;Prato, Maurizio. And the article was included in Angewandte Chemie, International Edition in 2018.Electric Literature of C9H10O4 This article mentions the following:

We show how the redox potentials of carbon nanodots (CNDs) can be modulated by employing quinones as electroactive precursors during a microwave-assisted synthesis. We prepared and characterized a redox library of CNDs, demonstrating that this approach can promote the use of carbon nanodots for ad hoc applications, including photocatalysis. In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7Electric Literature of C9H10O4).

2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. Electron-deficient reagents are also stabilized by ethers. For example, borane (BH3) is a useful reagent for making alcohols. Pure borane exists as its dimer, diborane (B2H6), a toxic gas that is inconvenient and hazardous to use. Borane forms stable complexes with ethers, however, and it is often supplied and used as its liquid complex with tetrahydrofuran (THF).Electric Literature of C9H10O4

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

Development of enzyme-linked immunosorbent assays for 4-nitrophenol and substituted 4-nitrophenols was written by Li, Qing Xiao;Zhao, Meng Shu;Gee, Shirley J.;Kurth, Mark J.;Seiber, James N.;Hammock, Bruce D.. And the article was included in Journal of Agricultural and Food Chemistry in 1991.Safety of 3-Methyl-4-nitroanisole This article mentions the following:

An ELISA was developed for the determination of 4-nitrophenol and monosubstituted 4-nitrophenols such as 2-chloro-4-nitrophenol and 3-methyl-4-nitrophenol. An antiserum (Ab1812) was selected among eight antisera against three different corresponding immunogens. 4-(Nitrophenyl)acetyl OVA conjugate (C-OVA) as a coating antigen was selected among eight hapten-protein conjugates. Using an Ab1812 dilution of 1/1000, I₅₀ values for 4-nitrophenol, 3-methyl-4-nitrophenol, 2-chloro-4-nitrophenol, and 2-amino-4-nitrophenol were 59, 64, 31, and 57 nM, resp. There were no cross-reactivities with other substituted phenols/nitrobenzenes and 2- or 3-nitrophenol. The detection limit of this ELISA was 1000 times lower than that of a standard colorimetric method for the anal. of 4-nitrophenol. Under the optimized condition, this procedure can be used to determine the concentration of 4-nitrophenol and(or) monosubstituted 4-nitrophenols at levels as low as 0.2 ppb in different water samples without extraction and cleanup. In the experiment, the researchers used many compounds, for example, 3-Methyl-4-nitroanisole (cas: 5367-32-8Safety of 3-Methyl-4-nitroanisole).

3-Methyl-4-nitroanisole (cas: 5367-32-8) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. But ether is more polar than alkenes. Ethers feature bent C–O–C linkages. In dimethyl ether, the bond angle is 111° and C–O distances are 141 pm. The barrier to rotation about the C–O bonds is low. The bonding of oxygen in ethers, alcohols, and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3.Safety of 3-Methyl-4-nitroanisole

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

Study on synthesis of yellowing resistant and durable antistatic polyurethane composites was written by Hu, Zhandong;Zhang, Shuohao;Kang, Yiyang;Bao, Lixia;Wang, Jiliang. And the article was included in Shandong Huagong in 2021.Formula: C5H12O3 This article mentions the following:

In this paper, the intermediate product 1-(methyl-di(oxyethylene))-3-ethylimidazolium bromide was prepared by N-alkylation using diethylene glycol Me ether, sodium bromide, imidazole and bromoethane as raw materials. ([DMEEIM][Br]) ionic liquid The hydrophilic ionic liquid 1-(methyl-di(oxyethylene))-3-ethylimidazolium tetrafluoroborate ([DMEEIM][BF₄]) was obtained by ion exchange. The target product after separation and purification was characterized by FT-IR and 1H-NMR, and its elec. conductivity was measured. The results showed that its elec. conductivity could reach 367 μS/cm. Using hexamethylene diisocyanate (HDI), polytetrahydrofuran ether glycol 2000 (PTMEG2000) and 1,4-butanediol (BDO) as raw materials, a solution polymerization method was used to obtain a yellowing-resistant polyurethane. The prepared ionic liquid was blended with polyurethane to obtain a permanent antistatic polyurethane composite material with yellowing resistance. Differential scanning calorimetry (DSC) and thermogravimetric anal. (TGA) were used to characterize the samples, and their tensile strength, elongation at break and surface resistivity were measured. The results showed that the obtained polyurethane film had excellent resistance to yellowing and permanent static resistance, and its surface resistivity reached 10⁷ Ohm·sq^-1. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Formula: C5H12O3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. At room temperature, ethers are pleasant-smelling colourless liquids. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil.Formula: C5H12O3

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

A scale-up procedure to dialkyl carbonates; evaluation of their properties, biodegradability, and toxicity was written by Trapasso, Giacomo;Salaris, Claudio;Reich, Marco;Logunova, Evgenia;Salata, Cristiano;Kummerer, Klaus;Figoli, Alberto;Arico, Fabio. And the article was included in Sustainable Chemistry and Pharmacy in 2022.Quality Control of 2-(2-Methoxyethoxy)ethanol This article mentions the following:

In this work, a scale-up procedure to non-com. available or expensive dialkyl carbonates via transcarbonylation reaction of an alc. with di-Me carbonate promoted by 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD) was explored. DACs selected for this study include sym. and unsym. compounds incorporating alkyl, alkoxyalkyl, aminoalkyl, and thioalkyl moieties. Compared to previously published works, the proposed procedure was customized for large-scale production of DACs (up to 100 mL); purification of the products was achieved by distillation, and recycling of the exceeding reagents was addressed. Furthermore, the role of the catalyst was investigated, and a possible reaction mechanism proposed. The chem.-phys. properties of the new DACs were evaluated employing softwares and models based on quant. structure-activity relationships (QSAR). Biodegradability and toxicity tests was also carried out both exptl. and by computational studies so to investigate the effect of the sulfur, nitrogen, or oxygen-containing moieties on the greenness of these – in some cases new -solvents and reagents. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Quality Control of 2-(2-Methoxyethoxy)ethanol).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) belongs to ethers. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil. At room temperature, ethers are pleasant-smelling colourless liquids. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil.Quality Control of 2-(2-Methoxyethoxy)ethanol

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

High-Performance Humidity Sensing in π-Conjugated Molecular Assemblies through the Engineering of Electron/Proton Transport and Device Interfaces was written by Turetta, Nicholas;Stoeckel, Marc-Antoine;Furlan de Oliveira, Rafael;Devaux, Felix;Greco, Alessandro;Cendra, Camila;Gullace, Sara;Gicevicius, Mindaugas;Chattopadhyay, Basab;Liu, Jie;Schweicher, Guillaume;Sirringhaus, Henning;Salleo, Alberto;Bonn, Mischa;Backus, Ellen H. G.;Geerts, Yves H.;Samori, Paolo. And the article was included in Journal of the American Chemical Society in 2022.Application of 111-77-3 This article mentions the following:

The development of systems capable of responding to environmental changes, such as humidity, requires the design and assembly of highly sensitive and efficiently transducing elements. Such a challenge can be mastered only by disentangling the role played by each component of the responsive system, thus ultimately achieving high performance by optimizing the synergistic contribution of all functional elements. Here, we designed and synthesized a novel [1]benzothieno[3,2-b][1]benzothiophene derivative equipped with hydrophilic oligoethylene glycol lateral chains (OEG-BTBT) that can elec. transduce subtle changes in ambient humidity with high current ratios (>10⁴) at low voltages (2 V), reaching state-of-the-art performance. Multiscale structural, spectroscopical, and elec. characterizations were employed to elucidate the role of each device constituent, viz., the active material’s BTBT core and OEG side chains, and the device interfaces. While the BTBT mol. core promotes the self-assembly of (semi)conducting crystalline films, its OEG side chains are prone to adsorb ambient moisture. These chains act as hotspots for hydrogen bonding with atm. water mols. that locally dissociate when a bias voltage is applied, resulting in a mixed electronic/protonic long-range conduction throughout the film. Due to the OEG-BTBT mols.’ orientation with respect to the surface and structural defects within the film, water mols. can access the humidity-sensitive sites of the SiO₂ substrate surface, whose hydrophilicity can be tuned for an improved device response. The synergistic chem. engineering of materials and interfaces is thus key for designing highly sensitive humidity-responsive elec. devices whose mechanism relies on the interplay of electron and proton transport. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Application of 111-77-3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) belongs to ethers. Ethers are good solvents partly because they are not very reactive. Most ethers can be cleaved, however, by hydrobromic acid (HBr) to give alkyl bromides or by hydroiodic acid (HI) to give alkyl iodides. The unique properties of ethers (i.e., that they are strongly polar, with nonbonding electron pairs but no hydroxyl group) enhance the formation and use of many reagents. For example, Grignard reagents cannot form unless an ether is present to share its lone pair of electrons with the magnesium atom. Complexation of the magnesium atom stabilizes the Grignard reagent and helps to keep it in solution.Application of 111-77-3

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

Prediction of CO₂ solubility in glymes and ionic liquids using modified generalized BWR EoS was written by Nishiumi, Hideo;Kodama, Daisuke. And the article was included in Fluid Phase Equilibria in 2022.Product Details of 112-49-2 This article mentions the following:

Glymes or ionic liquids are considered excellent solvents for carbon capture because they are insoluble in the gas phase during CO₂ recovery. Hence, it is beneficial to predict the solubility of CO₂ in these solvents to plan appropriate experiments for achieving carbon neutrality. In this study, Joback’s simple group contribution method (Joback and Reid, Chem. Eng. Commun. 57 (1987) 233-243) was used to predict the effectivity of ionic liquids or glymes toward CO₂ dissolution Using this method, the fundamental and critical properties, such as critical temperature, critical pressure, critical molar volume, and acentric factor, were predicted. A binary interaction parameter, mij, which is necessary for calculating the solubility of CO₂ in glyme or an ionic liquid, was also predicted using the critical volume ratio, Vc,i/Vc,CO₂. Using the modified generalized BWR EoS, the value was best fitted at approx. 300 and 370 K. In general, the method proposed was effective in predicting the amount of CO₂ that will dissolve in an unknown ionic liquid, which is essential for achieving carbon neutrality. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2Product Details of 112-49-2).

2,5,8,11-Tetraoxadodecane (cas: 112-49-2) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. But ether is more polar than alkenes. Electron-deficient reagents are also stabilized by ethers. For example, borane (BH3) is a useful reagent for making alcohols. Pure borane exists as its dimer, diborane (B2H6), a toxic gas that is inconvenient and hazardous to use. Borane forms stable complexes with ethers, however, and it is often supplied and used as its liquid complex with tetrahydrofuran (THF).Product Details of 112-49-2

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