Tag: 200-300

An Isomeric Copper-Diisophthalate Framework Platform for Storage and Purification of C₂H₂ and Exploration of the Positional Effect of the Methyl Group was written by Lin, Shengjie;Fan, Lihui;Zhou, Ping;Xu, Tingting;Jiang, Zhenzhen;Hu, Simin;Chen, Jingxian;He, Yabing. And the article was included in European Journal of Inorganic Chemistry in 2021.Category: bromides-buliding-blocks This article mentions the following:

Three isostructural metal-organic frameworks (MOFs) based on dicopper paddlewheels and dimethyl-functionalized linear diisophthalate ligands were solvothermally constructed, with the aim to study their performance regarding acetylene (C₂H₂) storage as well as separation and purification and to further understand the positional effect of the weakly polarized Me functionality. Isotherm measurements and IAST selectivity analyses revealed that the three compounds exhibited the promising potential for storing C₂H₂ and recovering C₂H₂ from CO₂ (CO₂) and methane (CH₄) at ambient conditions. Also, their C₂H₂ adsorption properties can be tailored and optimized by altering the relative position of the Me substituents immobilized in the organic linkers. At 298 K and 1 atm, the C₂H₂ uptake capacities vary from 173.0 to 183.6 cm³ (STP) g^-1, while the C₂H₂/CH₄ and C₂H₂/CO₂ adsorption selectivities are at 24.5-26.6 and 4.34-4.70 for the equimolar gas mixtures The ortho-dimethyl-modified MOF outperformed better than the other two MOF isomers. Rational arrangement of functional groups can to some extent improve gas adsorption properties. Although the property discrepancy caused by the less-polar Me group is not as large as that by Lewis-basic N atoms, this is the 1st exptl. demonstration of the positional effect of Me group on C₂H₂ adsorption. In the experiment, the researchers used many compounds, for example, 2,5-Dibromo-1,3-dimethylbenzene (cas: 100189-84-2Category: bromides-buliding-blocks).

2,5-Dibromo-1,3-dimethylbenzene (cas: 100189-84-2) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Development of a new class of hole-transporting and emitting vinyl polymers and their application in organic electroluminescent devices was written by Mutaguchi, Daisuke;Okumoto, Kenji;Ohsedo, Yutaka;Moriwaki, Kazuyuki;Shirota, Yasuhiko. And the article was included in Organic Electronics in 2003.Recommanded Product: 162258-89-1 This article mentions the following:

A new class of hole-transporting vinyl polymers, poly{4-vinyl-4′-[bis(4′-tert-butylbiphenyl-4-yl)amino]biphenyl} (PVBAB) and poly{4-vinyl-4′-[N,N-bis(9,9-dimethylfluoren-2-yl)amino]biphenyl} (PVFAB), and a new emitting vinyl polymer, poly(2-{4-[4-vinylphenyl(4-methylphenyl)amino]phenyl}-5-dimesitylborylthiophene) (PVPhAMB-1T), were designed and synthesized. These new vinyl polymers form smooth amorphous films with high glass transition temperatures of ca. 200 °C. PVBAB and PVFAB possess electron-donating properties, and PVPhAMB-1T possesses bipolar character with both electron-donating and accepting properties, exhibiting strong fluorescence in solution and as films. Organic electroluminescent devices using PVBAB or PVFAB as a hole-transport layer and N,N’-dimethylquinacridone-doped tris(8-quinolinolato)aluminum as an emitting layer were thermally stable and exhibited very high performance. The use of PVPhAMB-1T as an emitting material also permitted the fabrication of a high-performance, green-emitting organic EL device. In the experiment, the researchers used many compounds, for example, 4-Bromo-4′-tert-butylbiphenyl (cas: 162258-89-1Recommanded Product: 162258-89-1).

4-Bromo-4′-tert-butylbiphenyl (cas: 162258-89-1) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon–bromine bond is electrophilic in nature. When the molecular ion is detected, the bromine and chlorine isotope patterns are very distinct, but caution is to be exercised for certain mixed chlorinated/brominated compounds, which can look similar to homohalogen patterns.Recommanded Product: 162258-89-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis of some metabolites of meclozine was written by Goenechea, Sabino;Brzezinka, Harald;Glanzmann, Gerda;Ruecker, Gerhad;Neugebauer, Michael. And the article was included in Archiv der Pharmazie (Weinheim, Germany) in 1989.COA of Formula: C8H7BrO2 This article mentions the following:

The meclozine (I, R = Ph, R¹ = Me) metabolites I [R = Ph, R¹ = CO₂H, CONH₂, CONHCH₂CH₂SO₃H; R = 3,4-MeO(HO)C₆H₃, R¹ = CO₂H] and the mono- and di-N-oxides of I (R = Ph, R¹ = Me) were prepared In the experiment, the researchers used many compounds, for example, 3-(Bromomethyl)benzoic acid (cas: 6515-58-8COA of Formula: C8H7BrO2).

3-(Bromomethyl)benzoic acid (cas: 6515-58-8) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.COA of Formula: C8H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chemoselective Preparation of “Clickable” Aryl Sulfonyl Fluoride Monomers:A Toolbox of Highly Functionalized Intermediates for Chemical Biology Probe Synthesis was written by Fadeyi, Olugbeminiyi;Parikh, Mihir;Chen, Ming;Kyne, Robert Jr.;Taylor, Alexandria;O’Doherty, Inish;Kaiser, Stephen;Barbas, Sabrina;Niessen, Sherry;Shi, Manli;Weinrich, Scott L.;Kath, John;Jones, Lyn;Robinson, Ralph Pelton. And the article was included in ChemBioChem in 2016.COA of Formula: C6H4BrFO2S This article mentions the following:

Sulfonyl fluoride (SF)-based activity probes have become important tools in chem. biol. Herein, exploiting the relative chem. stability of SF to carry out a number of unprecedented SF-sparing functional group manipulations, we report the chemoselective synthesis of a toolbox of highly functionalized aryl SF monomers that we have used to quickly prepare SF chem. biol. probes. In addition to SF, the monomers bear an embedded click handle (a terminal alkyne that can perform copper(I)-mediated azide alkyne cycloaddition). The monomers can be used either as fragments to prepare clickable SF analogs of drugs (biol. active compounds) bearing an aryl ring or, alternatively, attached to drugs as “minimalist” clickable aryl SF substituents. In the experiment, the researchers used many compounds, for example, 3-Bromobenzene-1-sulfonyl fluoride (cas: 454-65-9COA of Formula: C6H4BrFO2S).

3-Bromobenzene-1-sulfonyl fluoride (cas: 454-65-9) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.COA of Formula: C6H4BrFO2S

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Efficient deep-blue organic light-emitting diodes employing difluoroboron-enabled thermally activated delayed fluorescence emitters was written by Li, Guijie;Zhan, Feng;Lou, Weiwei;Wang, Dan;Deng, Chao;Cao, Lina;Yang, Yuning;Zhang, Qisheng;She, Yuanbin. And the article was included in Journal of Materials Chemistry C: Materials for Optical and Electronic Devices in 2020.Formula: C8H8Br2 This article mentions the following:

The design and development of efficient emitters for deep-blue OLEDs with CIE_y < 0.10 remains a challenge. A new series of tetracoordinated difluoroboron (BF₂)-enabled thermally activated delayed fluorescent (TADF) materials with D-A-BF₂-type and D-π-A-BF₂-type frameworks for sky-blue to deep-blue emitters were designed and developed. The emission colors could be effectively tuned through regulating the degree of conjugation between the HOMO (HOMO) and LUMO (LUMO) by simply introducing a Me group into the Ph ring to adjust the mol. geometries and change the acceptor moieties, which were strongly supported by the d. functional theory (DFT) calculations and electrochem. studies. All the tetracoordinated difluoroboron TADF emitters are air-stable and insensitive to moisture, and they are strongly emissive in degassed toluene peaking at 435-471 nm with high photoluminescence quantum efficiencies (PLQYs) of 94-99%. The BF2-MPCz-doped sky-blue OLED demonstrated a peak EQE of 13.8% with a L_max value of 20853 cd m^-2 and CIE coordinates of (0.175, 0.354), and the BF2-DMCz-doped deep-blue OLED achieved a peak EQE of 8.4% with CIE coordinates of (0.149, 0.083). This indicates that the BF₂-enabled TADF materials can act as efficient emitters for the fabrication of sky-blue to deep-blue OLEDs. In the experiment, the researchers used many compounds, for example, 2,5-Dibromo-1,3-dimethylbenzene (cas: 100189-84-2Formula: C8H8Br2).

2,5-Dibromo-1,3-dimethylbenzene (cas: 100189-84-2) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Formula: C8H8Br2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

New SmCG Phases in a Hydrogen-Bonded Bent-Core Liquid Crystal Featuring a Branched Siloxane Terminal Group was written by Chen, Wei-Hong;Chuang, Wei-Tsung;Jeng, U-Ser;Sheu, Hwo-Shuenn;Lin, Hong-Cheu. And the article was included in Journal of the American Chemical Society in 2011.Recommanded Product: 35065-86-2 This article mentions the following:

The authors synthesized three analogous bent-core mols., a H-bonded complex and a covalent-bonded compound with branched siloxane units (H-SiO and C-SiO, resp.) and a H-bonded complex with an alkyl unit (H-Alk), and studied the effects of the H bonding and branched siloxane terminal units on their mesomorphic properties. The covalent-bonded compound C-SiO and the H-bonded complex H-Alk exhibited typical SmCP phases; in contrast, the H-bonded complex H-SiO exhibited general tilt smectic (SmCG) phases with highly ordered layer structures (i.e., SmCG̃₂P_F-USmCG₂P_A-SmCG₂P_F-SmCGP_F upon cooling). During the SmCG-type phase transition process, a 2-dimensional-modulated ribbon structure transferred into highly ordered layers via undulated layers, as the H-bonding strength increased with reduced temperatures As the SmCG domains were aligned under d.c. elec. fields, a gradual decrease in the leaning angle from ∼60° to 50° (while the tilt angle kept at ∼31°) could be determined by in situ wide-angle x-ray scattering (WAXS). Combined with FTIR and Raman spectroscopic data, the authors’ results suggest that the change in the leaning angle was governed by the competition of the H bonds and microsegregation of siloxane units within the bilayer structure of the H-bonded complex H-SiO. The ferroelec.-(antiferroelec.)-ferroelec. transitions proven by the switching current responses in the SmCG-type phases of H-SiO reveal that the polar switching occurred through collective rotations around the long axis of H-SiO. Therefore, novel SmCG phases with highly ordered 2-dimensional-structures were induced by the effects of the H bonding and branched terminal siloxane unit in the bent-core H-bonded LC complex H-SiO. In the experiment, the researchers used many compounds, for example, 3-Bromophenyl acetate (cas: 35065-86-2Recommanded Product: 35065-86-2).

3-Bromophenyl acetate (cas: 35065-86-2) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon–bromine bond is electrophilic in nature. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Recommanded Product: 35065-86-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Tricolor core/shell polymeric ratiometric nanosensors for intracellular glucose and oxygen dual sensing was written by Deng, Mengyu;Qiao, Yuan;Liu, Chang;Wang, Zijin;Shi, Jiayan;Pan, Tingting;Mao, Yongyun;Mei, Zhipeng;Huang, Fei;Tian, Yanqing. And the article was included in Sensors and Actuators, B: Chemical in 2019.Safety of 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane This article mentions the following:

Monitoring cell metabolism is crucial for understanding cell life activity and cytopathic mechanism. Glucose and oxygen are very important parameters for cell metabolism In this work, core/shell nanomaterials as novel tricolor ratiometric luminescence nanosensors were prepared for real-time monitoring of intracellular oxygen and glucose levels. The nanosensors were achieved by covalently embedding of red emitting oxygen probes and yellow emitting reference probes into the hydrophobic cores and covalently grafting blue emitting glucose probes onto hydrophilic shells. This system realized simultaneous detection of glucose and oxygen through two different luminescent signals without enzyme assistance, and the two kinds of detection signals didn′ t interfere with each other. The nanosensors could sensitively detect glucose in the range of 0.01 to 5.0 mM and simultaneously detect dissolved oxygen in the range of 0.05 to 39.3 mg/L, indicating the suitableness for intracellular glucose and oxygen monitoring. Because of the small sizes (< 60 nm), biocompatible core-shell structures, covalently imparted dye leaking-free construction of the nanosensors, these nanomaterials showed good cell permeability and low cytotoxicity. Cell imaging and intracellular sensing of the nanosensors were studied by confocal luminescence microscopy. Hela cells stained with the nanosensors showed an increase in blue emission when glucose was added and an increase in red emission when oxygen was reduced. While, the yellow emission from the reference probes was not affected by glucose or oxygen. This work is expected to lead to the design of intracellular glucose and oxygen sensors, and can be extended to other multiple sensors in biol. systems. In the experiment, the researchers used many compounds, for example, 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane (cas: 166821-88-1Safety of 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane).

2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane (cas: 166821-88-1) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.Safety of 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

New Concise and Efficient Synthesis of Rubrolides C and E via Intramolecular Wittig Reaction was written by Tale, Nilesh P.;Shelke, Amol V.;Tiwari, Girdharilal B.;Thorat, Prerana B.;Karade, Nandkishor N.. And the article was included in Helvetica Chimica Acta in 2012.Recommanded Product: 108940-96-1 This article mentions the following:

A short total synthesis of rubrolides C (I) and E (II) has been achieved in four steps, using readily available 4-methoxyacetophenone, 2-bromoacetic acid, and the appropriate aromatic aldehyde, in 46 and 45% yield, resp. Key reactions involved are α-tosyloxylation of the aryl Me ketone, intramol. Wittig reaction, Knoevenagel condensation, and demethylation. In the experiment, the researchers used many compounds, for example, 3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1Recommanded Product: 108940-96-1).

3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1) belongs to organobromine compounds. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.Recommanded Product: 108940-96-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Inhibition of tyrosine phenol-lyase by tyrosine homologues was written by Do, Quang;Nguyen, Giang T.;Phillips, Robert S.. And the article was included in Amino Acids in 2016.HPLC of Formula: 57293-19-3 This article mentions the following:

The authors designed, synthesized, and evaluated tyrosine homologs and their O-Me derivatives as potential inhibitors for tyrosine phenol-lyase (TPL; EC 4.1.99.2). Recently, the authors reported that homologs of tryptophan were potent inhibitors of tryptophan indole-lyase (tryptophanase; TIL, EC 4.1.99.1), with K_i values in the low micromolar range. As the structure and mechanism for TPL is very similar to that of TIL, the authors postulated that tyrosine homologs could also be potent inhibitors of TPL. However, the authors found that homotyrosine, bishomotyrosine, and their corresponding O-Me derivatives were competitive inhibitors of TPL, which exhibited K_i values in the range of 0.8-1.5 mM. Thus, these compounds were not potent inhibitors, but instead bound with affinities similar to common amino acids, such as phenylalanine or methionine. Pre-steady-state kinetic data were very similar for all compounds tested and demonstrated the formation of an equilibrating mixture of aldimine and quinonoid intermediates upon binding. Interestingly, the authors also observed a blue-shift for the absorbance peak of external aldimine complexes of all tyrosine homologs, suggesting possible strain at the active site due to accommodating the elongated side-chains. In the experiment, the researchers used many compounds, for example, 1-(3-Bromopropyl)-4-methoxybenzene (cas: 57293-19-3HPLC of Formula: 57293-19-3).

1-(3-Bromopropyl)-4-methoxybenzene (cas: 57293-19-3) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.HPLC of Formula: 57293-19-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications was written by Mercado, Rocio;Fu, Rueih-Sheng;Yakutovich, Aliaksandr V.;Talirz, Leopold;Haranczyk, Maciej;Smit, Berend. And the article was included in Chemistry of Materials in 2018.Application of 100189-84-2 This article mentions the following:

We present a database of 69,840 largely novel covalent organic frameworks assembled in silico from 666 distinct organic linkers and 4 established synthetic routes. Due to their light weights and high internal surface areas, the frameworks are promising materials for CH₄ storage applications. To assess their CH₄ storage performance, we used grand-canonical Monte Carlo simulations to calculate their deliverable capacities. We demonstrate that the best structure, composed of C-C bonded triazine linkers in the tbd topol., has a predicted 65-bar deliverable capacity of 216 v STP/v, better than the best CH₄ storage materials published to date. Using our approach, we also discovered other high-performing materials with 300 structures with calculated deliverable capacities >190 v STP/v and 10% of these outperforming 200 v STP/v. To encourage screening studies of these materials for other applications, all structures and their properties were made available on the Materials Cloud. In the experiment, the researchers used many compounds, for example, 2,5-Dibromo-1,3-dimethylbenzene (cas: 100189-84-2Application of 100189-84-2).

2,5-Dibromo-1,3-dimethylbenzene (cas: 100189-84-2) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. alpha-Bromoesters are employed in the Reformatsky reaction for the synthesis of beta-hydroxyesters. When the molecular ion is detected, the bromine and chlorine isotope patterns are very distinct, but caution is to be exercised for certain mixed chlorinated/brominated compounds, which can look similar to homohalogen patterns.Application of 100189-84-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary