Month: October 2022

In 2019,Angewandte Chemie, International Edition included an article by Brito, Gilmar A.; Jung, Woo-Ok; Yoo, Minjin; Krische, Michael J.. Computed Properties of C9H10O2. The article was titled 《Enantioselective Iridium-Catalyzed Allylation of Acetylenic Ketones via 2-Propanol-Mediated Reductive Coupling of Allyl Acetate: C14-C23 of Pladienolide D》. The information in the text is summarized as follows:

Highly enantioselective catalytic reductive coupling of allyl acetate with acetylenic ketones occurs in a chemoselective manner in the presence of aliphatic or aromatic ketones. This method was used to construct C14-C23 fragment (I) of pladienolide D in half the steps previously required. In the experiment, the researchers used 2-(Benzyloxy)acetaldehyde(cas: 60656-87-3Computed Properties of C9H10O2)

2-(Benzyloxy)acetaldehyde(cas: 60656-87-3) may be used in the following syntheses: (3S,5S)-methyl 6-benzyloxy-3,5-dihydroxyhexanoate ,(S)-5-benzyloxy-4-hydroxypentan-2-one, myxothiazols.Computed Properties of C9H10O2

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

In 2019,Journal of the American Chemical Society included an article by Mills, L. Reginald; Graham, Joshua M.; Patel, Purvish; Rousseaux, Sophie A. L.. Computed Properties of C7H8O2. The article was titled 《Ni-Catalyzed Reductive Cyanation of Aryl Halides and Phenol Derivatives via Transnitrilation》. The information in the text is summarized as follows:

Herein, Ni-catalyzed reductive coupling for the synthesis of benzonitriles from aryl(pseudo)halides and an electrophilic cyanating reagent, 2-methyl-2-Ph malononitrile (MPMN) is reported. MPMN is a bench-stable, carbon-bound electrophilic CN reagent that does not release cyanide under the reaction conditions. A variety of medicinally relevant benzonitriles can be made in good yields. Addition of NaBr to the reaction mixture allows for the use of more challenging aryl electrophiles such as aryl chlorides, tosylates, and triflates. Mechanistic investigations suggest that NaBr plays a role in facilitating oxidative addition with these substrates. In the part of experimental materials, we found many familiar compounds, such as m-Methoxyphenol(cas: 150-19-6Computed Properties of C7H8O2)

m-Methoxyphenol(cas: 150-19-6) may be used in synthesis of:C(4) symmetric calix[4]resorcinarene, 2-nitroso-5-methoxyphenol, 6-methoxy-2(3H)-benzoxazoloneComputed Properties of C7H8O2

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

The author of 《Enantioselective Dicarbofunctionalization of Unactivated Alkenes by Palladium-Catalyzed Tandem Heck/Suzuki Coupling Reaction》 were Zhang, Zhan-Ming; Xu, Bing; Wu, Lizuo; Wu, Yuanqi; Qian, Yanyan; Zhou, Lujia; Liu, Yu; Zhang, Junliang. And the article was published in Angewandte Chemie, International Edition in 2019. Recommanded Product: 3-Methoxyphenylboronic acid The author mentioned the following in the article:

A highly enantioselective dicarbofunctionalization of unactivated alkenes was implemented by a Pd-catalyzed asym. tandem Heck/Suzuki coupling reaction. This reaction represents the first example of a highly enantioselective intramol. cyclization/cross-coupling of olefin-tethered aryl halides with alkyl-, alkenyl- or arylboronic acids, and provides rapid access to a number of chiral compounds, such as dihydrobenzofurans, indolines, chromanes, and indans bearing a quaternary stereocenter, in good yields with excellent enantioselectivities. The practicality of this reaction was validated in the modification of biol. complex mols. such as peptides, piperitol, CB2 receptor agonists, etc. Moreover, the synthesis of two enantiomers can be easily realized by simple change in the order of the steps in the coupling sequence. In the experiment, the researchers used 3-Methoxyphenylboronic acid(cas: 10365-98-7Recommanded Product: 3-Methoxyphenylboronic acid)

3-Methoxyphenylboronic acid(cas: 10365-98-7) belongs to boronic acids. Boronic acids are mild Lewis acids which are generally stable and easy to handle, making them important to organic synthesis.Recommanded Product: 3-Methoxyphenylboronic acid

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

The author of 《Mechanism of ε-caprolactone polymerization in the presence of alkali metal salts: investigation of initiation course and determination of polymers structure by MALDI-TOF mass spectrometry》 were Grobelny, Zbigniew; Golba, Sylwia; Jurek-Suliga, Justyna. And the article was published in Polymer Bulletin (Heidelberg, Germany) in 2019. Quality Control of 1,4,7,10,13-Pentaoxacyclopentadecane The author mentioned the following in the article:

Various alkali metal salts were applied as initiators for ε-caprolactone anionic ring-opening polymerization in THF at room temperature It was observed that potassium methoxide (MeOK), potassium isopropoxide (i-PrOK) and potassium tert-butoxide (t-BuOK) nonactivated or activated by 18-crown-6 (18C6) initiated polymerization mainly by deprotonation of the monomer. In the case of potassium hydride (KH), its basicity increased with the ability of the ligand for cation complexation. For example, KH without ligand or with weak ligands for K+ as 12C4 reacted exclusively by ring opening. However, in the presence of strong ligands, as 15C5, 18C6 or cryptand C222, basicity of H- increased with the ability of the ligand for cation complexation. In the last case, ∼ 32% of the monomer was deprotonated. In these systems, gaseous H2 evolved during the initiation. Deprotonation of the monomer by some initiators resulted in macromols. with reactive aldehyde group or lactone ring as starting groups. They took part in the reaction with potassium alkoxide active centers of growing chains leading to the formation of branched poly(ε-caprolactone)s. Sodium hydride (NaH) was inactive, but in the presence of 15-crown-5 or 18-crown-6 initiated polymerization exclusively by ring opening. MALDI-TOF mass spectrometry supported with 13C NMR and SEC was used for anal. of the polymers obtained. Mechanism of the studied processes was proposed and discussed. The experimental part of the paper was very detailed, including the reaction process of 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Quality Control 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. Quality Control of 1,4,7,10,13-Pentaoxacyclopentadecane

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

The author of 《Structural analysis and biological functionalities of iron(III)- and manganese(III)-thiosemicarbazone complexes: in vitro anti-proliferative activity on human cancer cells, DNA binding and cleavage studies》 were Kaya, Busra; Yilmaz, Zehra Kubra; Sahin, Onur; Aslim, Belma; Tukenmez, Ummugulsum; Ulkuseven, Bahri. And the article was published in JBIC, Journal of Biological Inorganic Chemistry in 2019. Formula: C8H8O3 The author mentioned the following in the article:

One iron(III) and two manganese(III) complexes based on thiosemicarbazone were synthesized and characterized using anal. and spectroscopic data. The crystallog. anal. showed the square pyramid structures of the complexes. Electronic spectra anal. was performed to determine the nature of the interaction between the complexes and calf thymus DNA (CT-DNA). DNA cleavage activities of the complexes were examined by gel electrophoresis (pBR322 DNA). The cytotoxicity of the complexes was determined against human cervical carcinoma (HeLa) and human colorectal adenocarcinoma (HT-29) cell lines by MTT assay. The results indicated that complex Fe1(I) is bound to CT-DNA via the intercalation mode, while complexes Mn1(II) and Mn2(III) are bound to CT-DNA via groove binding and/or electrostatic interactions rather than the intercalation mode. In addition, they showed good binding activity, which followed the order of I > III > II. Complexes were found to promote the cleavage of DNA from supercoiled form (SC, Form I) to nicked circular form (NC, Form II) without concurrent formation of Form III, revealing the single-strand DNA cleavage. No significant cleavage was found in the presence of II and III; however, it was observed at 2000 and 3000μM concentrations of I. The ability of I to cleave DNA was greater than that of other complexes and these results are in conformity with their DNA-binding affinities. Cytotoxicity determination tests revealed that the complex I on HeLa and HT-29 cells exhibited a higher anti-proliferative effect than II and III (I > III > II). These studies suggested that the complex I could be a good candidate as a chemotherapeutic drug targeting DNA. In the experiment, the researchers used many compounds, for example, 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3Formula: C8H8O3)

2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is the main component of root bark essential oil of Periploca sepium Bunge. It is a potential tyrosinase inhibitor present in African medicinal plants. 2-Hydroxy-4-methoxybenzaldehyde was used in the synthesis of Schiff base ligand.Formula: C8H8O3

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

《Synthesis and Functionalization of Allenes by Direct Pd-Catalyzed Organolithium Cross-Coupling》 was published in Angewandte Chemie, International Edition in 2020. These research results belong to Mateos-Gil, Jaime; Mondal, Anirban; Castineira Reis, Marta; Feringa, Ben L.. Computed Properties of C7H7BrO The article mentions the following:

A palladium-catalyzed cross-coupling between in situ generated allenyl/propargyl-lithium species and aryl bromides to yield highly functionalized allenes is reported. The direct and selective formation of allenic products preventing the corresponding isomeric propargylic product is accomplished by the choice of SPhos or XPhos based Pd catalysts. The methodol. avoids the prior transmetalation to other transition metals or reverse approaches that required prefunctionalization of substrates with leaving groups, resulting in a fast and efficient approach for the synthesis of tri- and tetrasubstituted allenes. Exptl. and theor. studies on the mechanism show catalyst control of selectivity in this allene formation. In the experimental materials used by the author, we found 1-Bromo-3-methoxybenzene(cas: 2398-37-0Computed Properties of C7H7BrO)

1-Bromo-3-methoxybenzene(cas: 2398-37-0) is a compound useful in organic synthesis and other chemical processes. It is an intermediate used for pharmaceuticals, perfumes and agrochemicals.Computed Properties of C7H7BrO

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

《Dinitrogen Activation by a Heterometallic VFe Complex Derived from 1,1′-Bis(arylamido)vanadocene》 was published in European Journal of Inorganic Chemistry in 2020. These research results belong to Hatanaka, Tsubasa; Kusunose, Hinano; Kawaguchi, Hiroyuki; Funahashi, Yasuhiro. Category: ethers-buliding-blocks The article mentions the following:

For dinitrogen activation mediated by a heterobimetallic VFe complex, synthesis and reduction of a novel iron complex having 1,1′-bis(mesitylamido)vanadocene were performed. Reaction of the vanadocene ligand 2 with iron dichloride afforded a heterobimetallic VFe complex 3, characterized by x-ray crystallog. study. The mol. structure of the complex 3 showed the short V-Fe distance of 2.6373(3) Å, indicative of the bonding interaction between two metals. Reduction of the complex 3 with KC8 under a nitrogen atm. was found to result in the formation of a three-coordinate iron dinitrogen complex 4, in which the dinitrogen moiety shows one of the longest N-N bond lengths for iron dinitrogen complexes. Reduction of the complex 3 under an argon atm. was performed to isolate a reduced species [K(thf)5][3] as a reactive intermediate, whose structure was also determined by x-ray crystallog. After reading the article, we found that the author used 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Category: ethers-buliding-blocks)

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. Category: ethers-buliding-blocks

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

《The Conveyor Belt Umbrella Sampling (CBUS) Scheme: Principle and Application to the Calculation of the Absolute Binding Free Energies of Alkali Cations to Crown Ethers》 was published in Journal of Chemical Theory and Computation in 2020. These research results belong to Hahn, David F.; Zarotiadis, Rhiannon A.; Hunenberger, Philippe H.. Product Details of 33100-27-5 The article mentions the following:

We recently introduced a method called conveyor belt (CB) thermodn. integration (TI) for the calculation of alchem. free-energy differences based on mol. dynamics simulations. In the present work, the CBTI approach is generalized to conformational free-energy changes, i.e., to the determination of the potential of mean force (PMF) along a conformational coordinate ξ of interest. The proposed conveyor belt umbrella sampling (CBUS) scheme relies on the parallel simulation of K replicas k = 0,1, …, K – 1 of the system, with K even. For each replica k, the instantaneous value of ξ is restrained to an anchor value λk. The latter anchor points are equally spaced along a forward-turn-backward-turn path (i.e., a CB) between two extreme values defining the ξ-range of interest. The rotation of the CB is controlled by a variable Λ (range from 0 to 2π) which evolves dynamically along the simulation. The evolution of Λ results from the forces exerted by the restraining potentials on the anchor points, taken equal and opposite to those they exert on the replicas. Because these forces tend to cancel out along the CB, the dynamics of Λ is essentially diffusive, and the continuous distribution of ξ-values sampled by the replica system is automatically close to homogeneous. The latter feature represents an advantage over direct counting (DCNT) and traditional umbrella sampling (TRUS), shared to some extent with replica-exchange umbrella sampling (REUS). In this work, the CBUS scheme is introduced and compared to the three latter schemes in the calculation of 45 standard absolute binding free energies. These correspond to the binding of five alkali cations to three crown ethers in three solvents. Different free-energy estimators are considered for the PMF calculation, and the calculated values are also compared to those of a previous study relying on an alchem. path, as well as to exptl. data. In the experiment, the researchers used many compounds, for example, 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Product Details of 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. Product Details of 33100-27-5

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

《Copper-catalysed ortho-selective C-H bond functionalization of phenols and naphthols with α-aryl-α-diazoesters》 was written by Ma, Ben; Tang, Zhiqiong; Zhang, Junliang; Liu, Lu. Related Products of 150-19-6 And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2020. The article conveys some information:

The copper-catalyzed highly efficient C(sp2)-H functionalization of unprotected naphthols and phenols with α-aryl-α-diazoesters was reported . In this transformation, CuCl2 efficiently promoted the highly chemo- and site-selective C-H bond functionalization under mild conditions, furnishing diverse phenol derivatives moderated to excellent yields from readily available starting materials. The results came from multiple reactions, including the reaction of m-Methoxyphenol(cas: 150-19-6Related Products of 150-19-6)

m-Methoxyphenol(cas: 150-19-6) may be used as an analytical standard for the determination of the analyte in wine, coffee beans, wood samples, and mainstream smoke by gas chromatography (GC) based techniques.Related Products of 150-19-6

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

《Dermal delivery and follicular targeting of adapalene using PAMAM dendrimers》 was written by Gokce, Beyza B.; Boran, Tugce; Emlik Calik, Filiz; Ozhan, Gul; Sanyal, Rana; Gungor, Sevgi. Category: ethers-buliding-blocks And the article was included in Drug Delivery and Translational Research in 2021. The article conveys some information:

The aims of this study were to develop and optimize adapalene (ADA)-loaded PAMAM dendrimer-based nanocarriers for topical acne treatment and to prepare gel formulations of the selected nanocarriers and to characterize their rheol. properties and spreadability. ADA accumulation in HFs and in the skin from PAMAM dendrimers’ aqueous colloidal formulations and their gel formulations were quant. determined using punch biopsy technique. Follicular targeting efficiency from PAMAM dendrimers and their gel formulation was compared with the com. gel product, Differin Gel. The localisation of fluorescently labeled PAMAM dendrimers was visualised using a confocal microscope, which confirmed a successful delivery of the carrier system to the HFs. It was also quantified that PAMAM dendrimers improved follicular localisation and skin deposition of ADA. PAMAM dendrimers’ gel formulation including lower ADA doses compared with the com. product exhibited efficient performance in terms of drug accumulation in HFs. In vitro cell viability studies showed the relative safety of G2-PAMAM dendrimers which could be considered to possibly be well tolerated by the skin. Overall, PAMAM dendrimers’ potential to selectively target drugs to the site of action, reduce dose administrated, therefore minimise side effects and provide efficiency in topical treatment of dermatol. diseases such as acne was shown. The experimental part of the paper was very detailed, including the reaction process of 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas: 106685-40-9Category: ethers-buliding-blocks)

6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas:106685-40-9) may be used as a pharmaceutical reference standard for the quantification of the analyte in topical gel formulations using high-performance liquid chromatography technique.Category: ethers-buliding-blocks

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