Tag: 200-300

McKee, Nida A.; McKee, Michael L. published their research in Physical Chemistry Chemical Physics in 2021. The article was titled 《Evaluation of packing single and multiple atoms and molecules in the porous organic cage CC3-R》.Application of 33100-27-5 The article contains the following contents:

The absorption of multiple atoms and mols., including Kr, Xe, CH4, CO2, C2H2, H2O, and SF6, within CC3-R, a Porous Organic Cage (POC), was calculated and analyzed. The CC3-R mol. has one central cavity and four window sites. Most adsorbents were modeled with either one unit in the central cavity, four units in the window sites, or with five units in both sites. For Xe, the most favorable site was the central one. The CO2 mol. binds about 3 kcal mol-1 in free energy more strongly than CH4 in the central cavity of CC3-R at 300 K which may be enough to allow useful discrimination. Four C2H2 units and four CO2 units are calculated to bind similarly inside CC3-R (ΔH(298 K) = -8.6 and -7.7 kcal mol-1 per unit, resp.). Since H2O is smaller, more waters can easily fit inside. For twelve water mols., the binding enthalpy per water is ΔH(298 K) = -16.4 kcal mol-1. For comparison, the binding enthalpy of (H2O)12 at the same level of theory (B3LYP/6-31G(d,p)-D3BJ//M06-2X/6-31G(d)) is predicted to be -12.3 kcal mol-1 per water. Finally, the dimerization of CC3-R and the association of CC3-R with CC3-S was studied as well as 3 to 9 iodine atoms enclosed in CC3-R. In addition to this study using 1,4,7,10,13-Pentaoxacyclopentadecane, there are many other studies that have used 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Application of 33100-27-5) was used in this study.

1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Application of 33100-27-5

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

Weirich, Luisa; Merten, Christian published their research in Physical Chemistry Chemical Physics in 2021. The article was titled 《Induced VCD and conformational chirality in host-guest complexes of a chiral ammonium salt with crown ethers》.Name: 1,4,7,10,13-Pentaoxacyclopentadecane The article contains the following contents:

The hydrogen bonded complexes of the chiral ammonium salt α-methylbenzyl ammonium chloride (MBA-H+Cl-) and the achiral crown ethers 18c6 and 15c5 serve as model systems to investigate the effect of host-guest complex formation on the conformational preferences of the macrocycles. We demonstrate that the intermol. interactions result in new VCD signatures, that can be assigned to vibrational modes of the crown ethers. Based on a detailed conformational anal., we investigate the origin of these signatures and discuss induced VCD (iVCD) and conformational chirality as possible sources of VCD intensity. The macrocycle in the MBA-H+/18c6 complex prefers either an achiral D3d-sym. conformation, which gives rise to iVCD, or chiral conformations, that feature individual contributions to the VCD spectrum. For the MBA-H+/15c5 complex, the contributions of the macrocycle to the VCD signatures are less pronounced and found to arise solely from conformational chirality. Therefore, anal. of the VCD signatures confirms that the small chiral guest mol. is able to affect the conformational preferences of a macrocyclic host. The study thus demonstrates the suitability of VCD spectroscopy for the characterization of analogous supramol. host-guest complexes. The results came from multiple reactions, including the reaction of 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Name: 1,4,7,10,13-Pentaoxacyclopentadecane)

1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Name: 1,4,7,10,13-Pentaoxacyclopentadecane

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

In 2019,Physical Chemistry Chemical Physics included an article by Lopez, Juan C.; Perez, Cristobal; Blanco, Susana; Shubert, V. Alvin; Temelso, Berhane; Shields, George C.; Schnell, Melanie. Recommanded Product: 1,4,7,10,13-Pentaoxacyclopentadecane. The article was titled 《Water induces the same crown shapes as Li+ or Na+ in 15-crown-5 ether: a broadband rotational study》. The information in the text is summarized as follows:

15-Crown-5 ether (15C5) and its complexes with water have been studied using broadband Fourier transform microwave spectroscopy in a supersonic jet. A new conformer of 15C5 has been observed and established as the new global min. out of a total of nine isolated structures. In addition, two 15C5-H2O and two 15C5-(H2O)2 clusters have been observed The cluster structures have been unambiguously identified through the observation of water 18O isotopologue spectra. In all the clusters, at least one water mol., located close to the axis of the 15C5 ring, interacts through two simultaneous hydrogen bonds to the endocyclic oxygen atoms. This interaction reshapes the 15C5 ring to reduce its rich conformational landscape to only two open structures, related to those found in complexes with Li+ or Na+ ions. In the most abundant 15C5-(H2O)2 form, the two water mols. repeat the same interaction scheme while binding to opposite sides of the ring. In the second most abundant dihydrated form the two water mols. lie on the same side of the ring. This finding is exceptionally rare because water-water interactions typically prevail over the formation of addnl. solute-water contacts, and it showcases the particular binding features of crown ethers. In the part of experimental materials, we found many familiar compounds, such as 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Recommanded Product: 1,4,7,10,13-Pentaoxacyclopentadecane)

1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Recommanded Product: 1,4,7,10,13-Pentaoxacyclopentadecane

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

《Supported Palladium-Gold Catalyzed Carbonylative Methylthioesterification of Aryl Iodides using Oxalic acid and DMSO as CO and CH3SH Surrogates》 was written by Sharma, Ajay Kumar; Ram, Shankar; Sheetal; Mehara, Pushkar; Chauhan, Arvind Singh; Das, Pralay. Recommanded Product: 1-Iodo-2-methoxybenzene And the article was included in Asian Journal of Organic Chemistry in 2020. The article conveys some information:

The polystyrene supported palladium-gold (Pd-Au@PS) catalyst was prepared and well characterized by HR-TEM, EDX, Elemental Mapping, XPS and P-XRD anal. The Pd-Au@PS NPs displayed the superior catalytic activity than their monometallic forms. First time, the catalyst was applied for methylthioesterification reaction of aryl iodides RI (R = Ph, 4-methylphenyl, naphthalen-1-yl, thiophen-2-yl, etc.) with oxalic acid and DMSO as in situ carbon monoxide (CO) and Me mercaptan (CH3SH) precursor. Yet, there is no report available where DMSO has been applied as CH3SH source for methylthioester RC(O)SCH3 synthesis. The CH3SH and CO are likely to poison the metal catalyst, whereas in Pd-Au@PS catalyst, the beneficial inter-electronic interaction between Pd and Au metals makes the catalyst highly reactive, poisoning resistant and recyclable during the transformation. Moreover, the developed protocol exhibits excellent functional group tolerance for various aryl iodides to deliver the desired products in moderate to very good yields. The experimental part of the paper was very detailed, including the reaction process of 1-Iodo-2-methoxybenzene(cas: 529-28-2Recommanded Product: 1-Iodo-2-methoxybenzene)

1-Iodo-2-methoxybenzene(cas: 529-28-2) participates in palladium catalyzed enantioselective Heck arylation of 2,3-dihydrofuran in the presence of chiral ionic liquids containing L-prolinate and L-lactate anions and non-chiral quaternary ammonium cations.Recommanded Product: 1-Iodo-2-methoxybenzene

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

《Gold-Catalyzed Chemoselective Couplings of Polyfluoroarenes with Aryl Germanes and Downstream Diversification》 was published in Journal of the American Chemical Society in 2020. These research results belong to Dahiya, Amit; Fricke, Christoph; Schoenebeck, Franziska. Quality Control of 1-Iodo-2-methoxybenzene The article mentions the following:

This report describes the chemoselective coupling of polyfluoroarenes with aryl germanes in the presence of aromatic C-I, C-Br, C-Cl, C-OTf, and C-SiMe3 groups, as well as demonstrates the further downstream diversification to give richly functionalized and highly fluorinated polyarenes. The strategy relies on an in situ Umpolung of the FnArH, followed by selective Au(I)/Au(III)-catalyzed coupling with electron-poor or -rich aryl germanes, even in the presence of challenging ortho-substituents, and widens the currently available coupling space in oxidative gold catalysis to previously inaccessible electron-poor/electron-poor biaryls.1-Iodo-2-methoxybenzene(cas: 529-28-2Quality Control of 1-Iodo-2-methoxybenzene) was used in this study.

1-Iodo-2-methoxybenzene(cas: 529-28-2) is a useful synthetic intermediate. It can be used in the synthesis of piperidinyl diaminopyrimidines as cyclin-dependent kinase inhibitors with antitumor activity and polysubstituted benzofuran derivatives as novel inhibitors of parasitic growth.Quality Control of 1-Iodo-2-methoxybenzene

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

The author of 《Isolation of cyclic penta(ethylene oxide) from mixtures with its linear analog by combining selective intercalation into graphite oxide and solvent approaches》 were Ruiz, Daniel; Alegria, Angel; Barroso-Bujans, Fabienne. And the article was published in Separation and Purification Technology in 2019. Recommanded Product: 33100-27-5 The author mentioned the following in the article:

Cyclic oligomers of poly(ethylene oxide)s intercalate slower into graphite oxide (GO) than their linear analogs from the melt. In present study these kinetic differences are exploited to isolate 15-crown-5 (15C5) from mixtures with linear penta(ethylene glycol) (5EG) by using 2 approaches: (a) melt intercalation and solvent extraction and (b) intercalation from solution and filtration. In both cases fractions highly enriched in the cyclic component are obtained by using an appropriate selection of the solvent. Solvents that do not penetrate the interlayer space of GO (such as CCl4 and toluene) increases the cyclic fraction from 50% in the initial mixture to values ≤99%. On the contrary, solvents that penetrate the interlayer space of GO produce fractions with low content of 15C5. The ability of nonpenetrating solvents to achieve an effective isolation of 15C5 demonstrates that separation is driven by a faster intercalation of 5EG into unswollen GO, without solvent assistance, and the permanence of 15C5 in solution These results are discussed in the light of data collected by x-ray diffraction, DSC and gel permeation chromatog. This study provides substantial evidence of a very promising separation method for a topol. purification of cyclic poly(ethylene oxide)s with GO. In the part of experimental materials, we found many familiar compounds, such as 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Recommanded Product: 33100-27-5)

1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Recommanded Product: 33100-27-5

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

In 2019,Chemistry – A European Journal included an article by Schwarz, Christopher; Scharf, Lennart T.; Scherpf, Thorsten; Weismann, Julia; Gessner, Viktoria H.. Application In Synthesis of 1,4,7,10,13-Pentaoxacyclopentadecane. The article was titled 《Isolation of the Metalated Ylides [Ph3P-C-CN]M (M = Li, Na, K): Influence of the Metal Ion on the Structure and Bonding Situation》. The information in the text is summarized as follows:

The isolation and structural characterization of the cyanido-substituted metalated ylides [Ph3P-C-CN]M (1-M; M = Li, Na, K) are reported with lithium, sodium, and potassium as metal cations. In the solid-state, most different aggregates could be determined depending on the metal and addnl. Lewis bases. The crown-ether complexes of sodium (1-Na) and potassium (1-K) exhibited different structures, with sodium preferring coordination to the nitrogen end, whereas potassium binds in an unusual η2-coordination mode to the two central carbon atoms. The formation of the yldiide was accompanied by structural changes leading to shorter C-C and longer C-N bonds. This could be attributed to the delocalization of the free electron pairs at the carbon atom into the antibonding orbitals of the CN moiety, which was confirmed by IR spectroscopy and computational studies. Detailed d. functional theory calculations show that the changes in the structure and the bonding situation were most pronounced in the lithium compounds due to the higher covalency. In the experiment, the researchers used 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Application In Synthesis of 1,4,7,10,13-Pentaoxacyclopentadecane)

1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Application In Synthesis of 1,4,7,10,13-Pentaoxacyclopentadecane

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

In 2019,Angewandte Chemie, International Edition included an article by Liu, Feipeng; Dong, Zhe; Wang, Jianchun; Dong, Guangbin. Related Products of 529-28-2. The article was titled 《Palladium/Norbornene-Catalyzed Indenone Synthesis from Simple Aryl Iodides: Concise Syntheses of Pauciflorol F and Acredinone A》. The information in the text is summarized as follows:

To show the synthetic utility of palladium/norbornene (Pd/NBE) cooperative catalysis, here we report concise syntheses of indenone-based natural products, pauciflorol F and acredinone A, which are enabled by direct annulation between aryl iodides and unsaturated carboxylic acid anhydrides. Compared to the previous indenone preparation approaches, this method allows simple aryl iodides to be used as substrates with complete control of the regioselectivity. The total synthesis of acredinone A features two different Pd/NBE-catalyzed ortho acylation reactions for constructing penta-substituted arene cores, including the development of a new ortho acylation/ipso borylation. The experimental process involved the reaction of 1-Iodo-2-methoxybenzene(cas: 529-28-2Related Products of 529-28-2)

1-Iodo-2-methoxybenzene(cas: 529-28-2) is a useful synthetic intermediate. It can be used in the synthesis of piperidinyl diaminopyrimidines as cyclin-dependent kinase inhibitors with antitumor activity and polysubstituted benzofuran derivatives as novel inhibitors of parasitic growth.Related Products of 529-28-2

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

Name: 1-Iodo-2-methoxybenzeneIn 2021 ,《Design and Applications of a SO2 Surrogate in Palladium-Catalyzed Direct Aminosulfonylation between Aryl Iodides and Amines》 was published in Angewandte Chemie, International Edition. The article was written by Jia, Xiuwen; Kramer, Soeren; Skrydstrup, Troels; Lian, Zhong. The article contains the following contents:

A new SO2 surrogate is reported that is cheap, bench-stable, and can be accessed in just two steps from bulk chems. Essentially complete SO2 release is achieved in 5 min. Eight established sulfonylation reactions proceeded smoothly by ex situ formation of SO2 by utilizing a two-chamber system in combination with the SO2 surrogate. Furthermore, we report the first direct aminosulfonylation between aryl iodides and amines. Broad functional group tolerance is demonstrated, and the method is applicable to pharmaceutically relevant substrates, including heterocyclic substrates. The experimental process involved the reaction of 1-Iodo-2-methoxybenzene(cas: 529-28-2Name: 1-Iodo-2-methoxybenzene)

1-Iodo-2-methoxybenzene(cas: 529-28-2) participates in palladium catalyzed enantioselective Heck arylation of 2,3-dihydrofuran in the presence of chiral ionic liquids containing L-prolinate and L-lactate anions and non-chiral quaternary ammonium cations.Name: 1-Iodo-2-methoxybenzene

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

Electric Literature of C9H19NO4In 2019 ,《Structure-activity relationship studies on Bax activator SMBA1 for the treatment of ER-positive and triple-negative breast cancer》 was published in European Journal of Medicinal Chemistry. The article was written by Liu, Gang; Yin, Tao; Kim, Hyejin; Ding, Chunyong; Yu, Zhuo; Wang, Hong; Chen, Haiying; Yan, Ruping; Wold, Eric A.; Zou, Hao; Liu, Xi; Ding, Ye; Shen, Qiang; Zhou, Jia. The article contains the following contents:

In an effort to develop novel Bax activators for breast cancer treatment, a series of diverse analogs have been designed and synthesized based on lead compound SMBA1 through several strategies, including introducing various alkylamino side chains to have a deeper access to S184 pocket, replacing carbon atoms with nitrogen, and reducing the nitro group of 9H-fluorene scaffold. Compounds 14 (CYD-2-11, I) and 49 (CYD-4-61, II) have been identified to exhibit significantly improved antiproliferative activity compared to SMBA1, with IC50 values of 3.22 μM and 0.07 μM against triple-neg. breast cancer MDA-MB-231 and 3.81 μM and 0.06 μM against ER-pos. breast cancer MCF-7 cell lines, resp. Mechanism of action studies of II indicated that it can activate Bax protein to induce cytochrome c release and regulate apoptotic biomarkers, leading to cancer cell apoptosis. Further in vivo efficacy studies of I and II in nude mice bearing MDA-MB-231 tumor xenografts demonstrated that these drug candidates can significantly suppress tumor growth, indicating their therapeutic potential for the treatment of breast cancer. In addition to this study using tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate, there are many other studies that have used tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6Electric Literature of C9H19NO4) was used in this study.

tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6) belongs to ethers.The C-O bonds that comprise simple ethers are strong. Electric Literature of C9H19NO4 They are unreactive toward all but the strongest bases. Although generally of low chemical reactivity, they are more reactive than alkanes.

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