Month: November 2022

Computed Properties of C6H12OIn 2019 ,《Hydrosulfonylation of Unactivated Alkenes by Visible Light Photoredox Catalysisã€?was published in Organic Letters. The article was written by Wang, Juan-Juan; Yu, Wei. The article contains the following contents:

The anti-Markovnikov hydrosulfonylation of unactivated alkenes with sodium sulfinates was realized via [Ir(dF(CF3)ppy)2(dtbbpy)]PF6-mediated visible light photoredox catalysis. The presence of an acid such as acetic acid is essential for the reaction to take place. A variety of unactivated alkenes can be transformed into sulfones with good yield and high regioselectivity using this reaction, which is proposed to proceed by a radical mechanism. The results came from multiple reactions, including the reaction of 5-Hexen-1-ol(cas: 821-41-0Computed Properties of C6H12O)

5-Hexen-1-ol(cas: 821-41-0) is used in cyclization to a tetrahydropyran by phenylselenoetherification. It is also used as a building block in synthetic chemistry.Computed Properties of C6H12O

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《Cu/N-Oxyl-catalyzed aerobic oxidative esterification to oxalic acid diesters from ethylene glycol via highly selective intermolecular alcohol oxidationã€?was published in Green Chemistry in 2022. These research results belong to Morino, Yusuke; Yatabe, Takafumi; Suzuki, Kosuke; Yamaguchi, Kazuya. Safety of 3,3,3-Trifluoropropan-1-ol The article mentions the following:

One of the ideal green esterification reactions is aerobic oxidative esterification using only a stoichiometric amount of different alcs. via intermol. selective alc. oxidation followed by hemiacetal formation by the addition of the other alc. and hemiacetal oxidation to esters. However, oxalic acid diester synthesis via oxidative esterification has not been reported to date, possibly owing to the difficulty of selectivity control of intermol. alc. oxidation and the chelating effects of ethylene glycol-derived alcs./hemiacetals on inhibiting oxidation catalysts. Herein, using a CuCl/tetramethylethylenediamine/1,5-dimethyl-9-azanoradamantane N-oxyl catalyst, authors describe a highly efficient aerobic oxidative esterification reaction of ethylene glycol to various oxalic acid diesters via selective oxidation of ethylene glycol-derived alcs./hemiacetals even in the presence of other aliphatic primary alcs. Notably, the green reaction works well using an ideal stoichiometric ratio of ethylene glycol and primary/secondary alcs. Thorough exptl. investigation and theor. calculations revealed that highly selective oxidative esterification is enabled by the preferential bidentate coordination of ethylene glycol-derived alcs./hemiacetals to the Cu(II) species, followed by efficient two-electron/one-proton transfer. In the part of experimental materials, we found many familiar compounds, such as 3,3,3-Trifluoropropan-1-ol(cas: 2240-88-2Safety of 3,3,3-Trifluoropropan-1-ol)

3,3,3-Trifluoropropan-1-ol(cas: 2240-88-2) is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.Safety of 3,3,3-Trifluoropropan-1-ol

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Alcohol – Wikipedia,
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《Cu-catalyzed C-C bond formation of vinylidene cyclopropanes with carbon nucleophilesã€?was written by Chen, Jichao; Gao, Shang; Chen, Ming. Synthetic Route of C13H26B2O4This research focused onvinylidene cyclopropane alkynylboronate regioselective nucleophilic addition reaction; dialkynyl ester preparation. The article conveys some information:

The development of Cu-catalyzed addition of carbon nucleophiles to vinylidene cyclopropanes was reported. The reactions with 1,1-bisborylmethane provided homopropargylic boronate products by forming a C-C bond at the terminal carbon atom of the allene moiety of vinylidene cyclopropanes. Alkynyl boronates are also suitable nucleophile precursors in reactions with vinylidene cyclopropanes, and skipped diynes were obtained in high yields. In addition, the Cu-enolate generated from the initial addition of nucleophilic copper species to vinylidene cyclopropanes can be intercepted by an external electrophile. As such, vinylidene cyclopropane serves as a linchpin to connect a nucleophile and an electrophile by forming two carbon-carbon bonds sequentially. After reading the article, we found that the author used Bis[(pinacolato)boryl]methane(cas: 78782-17-9Synthetic Route of C13H26B2O4)

Bis[(pinacolato)boryl]methane(cas: 78782-17-9) belongs to organoboron compounds.Synthetic Route of C13H26B2O4 Organoboron compounds have been a cornerstone of synthetic transformations for decades. Areas such as boron-containing catalysts, metalate chemistry, photoredox methods, and boryl anions have brought significant new developments in understanding and provided new reactivity upon.

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《Mechanistic Insights into C-H Borylation of Arenes with Organoiridium Catalysts Embedded in a Microporous Metal-Organic Frameworkã€?was written by Syed, Zoha H.; Chen, Zhihengyu; Idrees, Karam B.; Goetjen, Timothy A.; Wegener, Evan C.; Zhang, Xuan; Chapman, Karena W.; Kaphan, David M.; Delferro, Massimiliano; Farha, Omar K.. Product Details of 24388-23-6This research focused onzirconium biphenyldicarboxylate phenanthrolinedicarboxylate MOF preparation immobilization iridium catalyst; iridium CH activation borylation catalyst immobilized zirconium MOF; borylation kinetics isotope effect phenylboronic ester preparation iridium catalyst. The article conveys some information:

Organometallic iridium catalysts can be used in conjunction with bispinacolatodiboron (B2Pin2) to effect the borylation of a variety of substrates such as arenes, alkanes, heteroarenes, and oxygenates. Recently, efforts have also focused on integrating these catalysts into porous supports, such as metal-organic frameworks (MOFs). While the mechanism of homogeneous borylation systems has been thoroughly investigated exptl. and computationally, analogous studies in MOF-supported iridium catalysts have not been conducted. Herein, we report the mechanistic investigation of a phenanthroline-iridium catalyst immobilized in the organic linker of Universitetet i Oslo (UiO)-67 (Zr6O4(OH)4(BPDC)4(PhenDC)2, BPDC = biphenyl-4,4′-dicarboxylate, PhenDC = 1,10-phenanthroline-3,8-dicarboxylate). By using benzene as a model substrate, variable time normalization anal. (VTNA) of the kinetic data suggested a rate law consistent with zero order in B2Pin2, and first order in arene. A primary kinetic isotope effect (KIE) in the time course of benzene-d6 borylation also provided complementary information about the role of the arene in the rate-determining step of the reaction. Characterization by techniques such as X-ray absorption spectroscopy (XAS) confirmed the presence of Ir(III), while pair distribution function (PDF) anal. suggested structures containing an Ir-Cl bond, further substantiated by XPS. Anal. of postcatalysis materials by inductively coupled plasma-optical emission spectroscopy (ICP-OES) revealed low boron accumulation, which may indicate an absence of boron in the resting state of the catalyst. Finally, in comparing borylation of benzene and toluene, a slight selectivity for benzene is observed, which is similar to the analogous homogeneous reaction, indicating the influence of substrate sterics on reactivity. The experimental part of the paper was very detailed, including the reaction process of 4,4,5,5-Tetramethyl-2-phenyl-1,3,2-dioxaborolane(cas: 24388-23-6Product Details of 24388-23-6)

4,4,5,5-Tetramethyl-2-phenyl-1,3,2-dioxaborolane(cas: 24388-23-6) also known as boronate ester, is generally used in metal-catalyzed C-C bond formation reactions like Suzuki–Miyaura reaction.Product Details of 24388-23-6

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《Microwave-assisted nickel(II) acetylacetonate-catalyzed arylation of aldehydes with arylboronic acidsã€?was written by Chen, Wen; Baghbanzadeh, Mostafa; Kappe, C. Oliver. Synthetic Route of C13H11ClO And the article was included in Tetrahedron Letters on April 6 ,2011. The article conveys some information:

Applying sealed vessel microwave heating at 180 °C in toluene the arylation of aromatic and aliphatic aldehydes with arylboronic acids using 1-2 mol % of Ni(acac)2 as a catalyst can be performed efficiently within 10-30 min providing the desired diarylmethanols or benzyl alcs. in good yields. In the experimental materials used by the author, we found (3-Chlorophenyl)(phenyl)methanol(cas: 63012-03-3Synthetic Route of C13H11ClO)

(3-Chlorophenyl)(phenyl)methanol(cas: 63012-03-3) belongs to hydroxy-containing compounds. Hydroxy-containing compounds engage in intermolecular hydrogen bonding increasing the electrostatic attraction between molecules and thus to higher boiling and melting points than found for compounds that lack this functional group.Synthetic Route of C13H11ClO Organic compounds, which are often poorly soluble in water, become water-soluble when they contain two or more hydroxy groups, as illustrated by sugars and amino acid.

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Alcohol – Wikipedia,
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《Ni-catalyzed cross-electrophile coupling between vinyl/aryl and alkyl sulfonates: synthesis of cycloalkenes and modification of peptidesã€?was written by Duan, Jicheng; Du, Yun-Fei; Pang, Xiaobo; Shu, Xing-Zhong. Computed Properties of C6H15NOThis research focused onvinyl triflate alkyl sulfonate Nickel catalyst reductive cross coupling; peptide alkyl tosylate Nickel catalyst cross coupling. The article conveys some information:

The coupling reactions between vinyl/aryl and alkyl C-O electrophiles that can be derived from chem. feedstocks and naturally occurring functional groups was reported. This method provided an efficient approach to the synthesis of a wide range of functionalized, and/or secondary alkyl substituted cycloalkenes that are difficult to synthesize by conventional methods. The reaction proceeded with broad substrate scope, and tolerated various functional groups such as alc., aldehyde, ketone, ester, amide, alkene, alkyne, heterocycles, organotin and organosilicon compounds The synthetic utility of this method was demonstrated by providing facile access to important building blocks. The possibility to apply this method for late-stage modification of peptides was also demonstrated. A broad range of functionalized alkyl groups was selectively introduced into tyrosine in peptides via C-C bond formation, which was a challenge to the existing procedures. In the part of experimental materials, we found many familiar compounds, such as 6-Aminohexan-1-ol(cas: 4048-33-3Computed Properties of C6H15NO)

6-Aminohexan-1-ol(cas: 4048-33-3) can undergo cyclization over copper supported on γ-alumina and magnesia to form hexahydro-1H-azepine. It may be used along with glutaric acid to generate poly(ester amide)s with excellent film- and fiber forming properties.Computed Properties of C6H15NO

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Alcohol – Wikipedia,
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《Simultaneous determination of guaifenesin enantiomers and ambroxol HCl using 50-mm chiral column for a negligible environmental impactã€?was written by Tantawy, Mahmoud A.; Yehia, Ali M.; Aboul-Enein, Hassan Y.. Safety of trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride And the article was included in Chirality in 2019. The article conveys some information:

Chiral stationary phases are conveniently used for enantiomeric separation of drugs by liquid chromatog. Consumption of large volumes of hazardous solvents is considered as a common challenge for the sustainability of this technique. To this end, a columnar chromatog. has been adopted using 50-mm-length stationary phases. The study comprised five Phenomenex Lux cellulose- and amylose-based columns for the separation of guaifenesin (GUA) enantiomers. In addition, an exptl. design was used to optimize the gradient profile for the separation of racemic GUA and ambroxol HCl (AMB) binary mixture The chromatog. method was achieved using Lux Cellulose-1 (50 × 4.6 mm) as a chiral stationary phase and ethanol/water as a mobile phase with linear gradient elution of 20% to 70% ethanol in 6 min at a flow rate of 1.0 mL min-1 and UV detection at 270 nm. Linearity ranges were found to be 50 to 1000 μg mL-1 and 15 to 450 μg mL-1 for each GUA enantiomer and AMB, resp. Environmental, health and safety tool was used to assess and compare greenness of the proposed and reported methods. Short column indeed reduces the environmental impact by decreasing waste by about 60% and utilizing only 1-mL ethanol in the mobile phase. The proposed method is a safer alternative for the simultaneous determination of drugs in their combined pharmaceutical formulation. The method has been validated and compared favorably with a reported one. The results came from multiple reactions, including the reaction of trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride(cas: 23828-92-4Safety of trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride)

trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride(cas: 23828-92-4) enhances pulmonary surfactant production and stimulates ciliary activity.Safety of trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride It promotes mucus clearance, facilitates expectoration and eases productive cough, allowing patients to breathe.

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Alcohol – Wikipedia,
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《Synthesis of novel 2-(het)arylpyrrolidine derivatives and evaluation of their anticancer and anti-biofilm activityã€?was published in Molecules in 2019. These research results belong to Smolobochkin, Andrey; Gazizov, Almir; Sazykina, Marina; Akylbekov, Nurgali; Chugunova, Elena; Sazykin, Ivan; Gildebrant, Anastasiya; Voronina, Julia; Burilov, Alexander; Karchava, Shorena; Klimova, Maria; Voloshina, Alexandra; Sapunova, Anastasia; Klimanova, Elena; Sashenkova, Tatyana; Allayarova, Ugulzhan; Balakina, Anastasiya; Mishchenko, Denis. SDS of cas: 6346-09-4 The article mentions the following:

A library of novel 2-(het)arylpyrrolidine-1-carboxamides I [R = H, n-hexyl, 4-MeOC6H4, etc.; Ar = 4-hydroxy-6-methyl-pyran-2-one-3-yl, 4-hydroxycoumarin-3-yl, 1,3-benzodioxol-5-ol-6-yl, 6-chloro-4-((4-yl-3-hydroxyphenyl)amino)-5-nitrobenzo[c][1,2,5]oxadiazole 1-oxide] was obtained via a modular approach based on the intramol. cyclization/Mannich-type reaction of N-(4,4-diethoxybutyl)ureas. Their anti-cancer activities both in vitro and in vivo were tested. The in vitro activity of some compounds toward M-Hela tumor cell lines was twice that of reference drug tamoxifen, whereas cytotoxicity toward normal Chang liver cell did not exceed tamoxifen toxicity. In vivo studies showed that the number of surviving animals on day 60 of observation was up to 83% and increased life span (ILS) was up to 447%. Addnl., some pyrrolidine-1-carboxamides possessing a benzofuroxan moiety obtained were found to effectively suppress bacterial biofilm growth. Thus, these compounds were promising candidates for further development both as anti-cancer and anti-bacterial agents. In the experiment, the researchers used 4,4-Diethoxybutan-1-amine(cas: 6346-09-4SDS of cas: 6346-09-4)

4,4-Diethoxybutan-1-amine(cas: 6346-09-4) belongs to anime. Amines can be classified according to the nature and number of substituents on nitrogen. Aliphatic amines contain only H and alkyl substituents. Aromatic amines have the nitrogen atom connected to an aromatic ring.Important amines include amino acids, biogenic amines, trimethylamine, and aniline. Inorganic derivatives of ammonia are also called amines, such as monochloramine (NClH2).SDS of cas: 6346-09-4

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Alcohol – Wikipedia,
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COA of Formula: C12H20O6On May 4, 2020 ,《Self-Assembled Nucleotide/Saccharide-Tethering Polycation-Based Nanoparticle for Targeted Tumor Therapyã€?appeared in ACS Materials Letters. The author of the article were Yu, Dan; Zhang, Na; Liu, Siyuan; Hu, Wenting; Nie, Jing-Jun; Zhang, Kai; Yu, Bingran; Wang, Zhen-Gang; Xu, Fu-Jian. The article conveys some information:

Development of novel concepts to construct drug vehicles for efficient encapsulation of hydrophobic drugs and targeted therapy is highly desirable to biomedical science. It remains a challenge to create effective noncovalent linkage between the components within the drug vectors. In this work, we report a supramol. approach to construct multifunctional nanoparticles, which combined tumor-targeting capability via saccharide, cell penetration via pos.-charged surface, and chemotherapeutic function via drug delivery for cancer therapy. A endogenous self-associating nucleotide (guanosine monophosphate) noncovalently bonded with a hydrophobic nucleoside analog drug (clofarabine) to form nanofibrils, which were transformed to spherical nanoparticles by assembling with a fructose/ethanolamine-functionalized starlike poly(glycidyl methacrylate)-based cationic polymer. Noncovalent cavities within the nanoparticles were created, through the nucleotide self-association, and acted as linkage between the hydrophilic cationic polymer and the drug. The saccharide-tethering polycation and nucleotide components were labeled with fluorescent dyes, resp., to image the endocytosis and biodistribution. In vitro and in vivo results show that the functional nanoparticles exhibited good capabilities of the targeted accumulation of the nanoparticles and delivery of drugs in cancer cells and tumor sites, leading to a robust anticancer effect. In addition to this study using ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol, there are many other studies that have used ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol(cas: 20880-92-6COA of Formula: C12H20O6) was used in this study.

((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol(cas: 20880-92-6) is a useful reactant for examining the effectiveness of sulfamate and sulfamide groups for the inhibition of carbonic anhydrase-​II (CA-​II)â€?COA of Formula: C12H20O6 And it is used as chiral auxiliaries in Michael and Aldol addition reactions.

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Safety of ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanolOn June 10, 2022, Chen, Yi-Xuan; He, Jun-Tao; Wu, Mei-Chun; Liu, Zhi-Lin; Tang, Kai; Xia, Peng-Ju; Chen, Kai; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua published an article in Organic Letters. The article was 《Photochemical Organocatalytic Aerobic Cleavage of C=C Bonds Enabled by Charge-Transfer Complex Formationã€? The article mentions the following:

A novel visible-light-driven organocatalytic protocol to access aerobic oxidative cleavage of olefins, e.g., 4-benzylidene-2,6-di-tert-butylcyclohexa-2,5-dien-1-one promoted by sodium benzene sulfinate, is described. An array of alkenes smoothly delivered the corresponding aldehydes RC(O)R1 (R = naphth-2-yl, 2-chlorophenyl, 3,4-dimethoxyphenyl, etc.; R1 = H) and ketones, e.g., 2, 6-di-tert-butylcyclohexa-2, 5-diene-1,4-dione under transition-metal-free conditions. Notably, α-halo-substituted styrenes, e.g., (1-bromovinyl)benzene proceeded with photoinduced oxidation to finally afford α-halo-acetophenones, e.g., 2-bromo-1-phenylethan-1-one with halogen migration. Crucial to this oxidation was the formation of charge-transfer complexes between sodium benzene sulfinate with mol. O2 to ultimately deliver the carbonyl products. In the experiment, the researchers used many compounds, for example, ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol(cas: 20880-92-6Safety of ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol)

((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol(cas: 20880-92-6) is a useful reactant for examining the effectiveness of sulfamate and sulfamide groups for the inhibition of carbonic anhydrase-​II (CA-​II)â€?Safety of ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol And it is used as chiral auxiliaries in Michael and Aldol addition reactions.

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Alcohol – Wikipedia,
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