Month: October 2022

In 2019,Journal of Metals, Materials and Minerals included an article by Worlee, Anuwat; Saiwari, Sitisaiyidah; Dierkes, Wilma; Sarkawi, Siti Salina; Nakason, Charoen. Safety of 1,2-Diphenyldisulfane. The article was titled 《Influence of filler network on thermo-chemical de-vulcanization efficiency of carbon black filled natural rubber》. The information in the text is summarized as follows:

Carbon black is often used as the reinforcing filler in tires since it plays an important role in improvement of tires mech. properties such as abrasion, stiffness, modulus and fatigue life. In this study, natural rubber (NR) filled with various loadings of carbon black was prepared Then, the NR vulcanizates were de-vulcanized via thermo-chem. method using di-Ph disulfide as de-vulcanization aid. The de-vulcanization efficiency was analyzed by relationship between sol fraction and crosslink d. of the de-vulcanizates. It is found that the de-vulcanization efficiency is influenced by filler loading. This is attributed to the degree of filler network formation in a rubber matrix which is depended on the filler loadings. In the unfilled de-vulcanizates the results showed that almost 100% of sol fraction and the crosslink d. reduced to almost zero are observed Adding carbon black results in a decrease of sol fraction and increase of crosslink densities. This is due to during de-vulcanization some occurred reactive radicals reacted with active site of carbon black surfaces in filler network to form gels of complex compound Hence, the de-vulcanization efficiency is lower with increasing carbon black loadings. After reading the article, we found that the author used 1,2-Diphenyldisulfane(cas: 882-33-7Safety of 1,2-Diphenyldisulfane)

1,2-Diphenyldisulfane(cas: 882-33-7) belongs to ethers. Ethers lack the hydroxyl groups of alcohols. Safety of 1,2-Diphenyldisulfane Without the strongly polarized O―H bond, ether molecules cannot engage in hydrogen bonding with each other.

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

The author of 《Synthesis of Homoallylic Alcohols with Acyclic Quaternary Centers through CoIII-Catalyzed Three-Component C-H Bond Addition to Internally Substituted Dienes and Carbonyls》 were Sun, Dongbang; Shen, Zican; Ellman, Jonathan A.. And the article was published in Angewandte Chemie, International Edition in 2019. Safety of 2-(Benzyloxy)acetaldehyde The author mentioned the following in the article:

An efficient CoIII-catalyzed three-component strategy to prepare homoallylic alcs. containing acyclic quaternary centers is disclosed. This transformation enables the introduction of two C-C σ bonds through C-H bond activation and sequential addition to internally substituted dienes and a wide range of aldehydes and activated ketones. Isoprene and other internally monosubstituted dienes are effective inputs, with the reaction proceeding with high diastereoselectivity for those substrate combinations that result in more than one stereogenic center. Moreover, the opposite relative stereochem. can be achieved by employing 1,2-disubstituted dienes. A mechanism for the transformation is proposed based upon the relative stereochem. of the products and studies with isotopically labeled starting materials. The results came from multiple reactions, including the reaction of 2-(Benzyloxy)acetaldehyde(cas: 60656-87-3Safety of 2-(Benzyloxy)acetaldehyde)

2-(Benzyloxy)acetaldehyde(cas: 60656-87-3) is a non-natural aldehyde. It undergoes enantioselective Mukaiyama aldol reaction with silylketene acetal nucleophiles in the presence of C2-symmetric bis(oxazolinyl)pyridine Cu(II) complex (catalyst).Safety of 2-(Benzyloxy)acetaldehyde

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

The author of 《SO3H-functionalized nano-MGO-D-NH2: Synthesis, characterization and application for one-pot synthesis of pyrano[2,3-d]pyrimidinone and tetrahydrobenzo[b]pyran derivatives in aqueous media》 were Alinezhad, Heshmatollah; Tarahomi, Mehrasa; Maleki, Behrooz; Amiri, Amirhassan. And the article was published in Applied Organometallic Chemistry in 2019. HPLC of Formula: 135-02-4 The author mentioned the following in the article:

An SO3H-functionalized nano-MGO-D-NH2 catalyst has been prepared by multi-functionalization of a magnetic graphene oxide (GO) nanohybrid and evaluated in the synthesis of tetrahydrobenzo[b]pyran and pyrano[2,3-d]pyrimidinone derivatives The GO/Fe3O4 (MGO) hybrid was prepared via an improved Hummers method followed by the covalent attachment of 1,4-butanesultone with the amino group of the as-prepared polyamidoamine-functionalized MGO (MGO-D-NH2) to give double-functionalized magnetic nanoparticles as the catalyst. The prepared nanoparticles were characterized to confirm their synthesis and to precisely determine their physicochem. properties. In summary, the prepared catalyst showed marked recyclability and catalytic performance in terms of reaction time and yield of products. The results of this study are hoped to aid the development of a new class of heterogeneous catalysts to show high performance and as excellent candidates for industrial applications. The experimental process involved the reaction of 2-Methoxybenzaldehyde(cas: 135-02-4HPLC of Formula: 135-02-4)

2-Methoxybenzaldehyde(cas: 135-02-4) is used as a flavor agent in foods including nonalcoholic/alcoholic beverages, baked goods, chewing gum, confections, frozen dairy, fruit ices, hard/soft candy, instant coffee, tea, Jams, jellies, and milk products. It also has been used to obtain good enantioselectivities using Cu(OAc)(2)-bis(oxazolines) via hydrogen bonding in asymmetric Henry reaction.HPLC of Formula: 135-02-4

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

The author of 《Radiosynthesis of a carbon-11-labeled AMPAR allosteric modulator as a new PET radioligand candidate for imaging of Alzheimer’s disease》 were Miao, Caihong; Dong, Fugui; Jia, Limeng; Li, Wei; Wang, Min; Zheng, Qi-Huang; Xu, Zhidong. And the article was published in Bioorganic & Medicinal Chemistry Letters in 2019. SDS of cas: 10365-98-7 The author mentioned the following in the article:

Methoxyphenoxybenzothiadiazinedione I (R = 11CH3) was prepared as an allosteric PET ligand for the α-amino-3-hydroxy-5-methyl-4-isoxazolepropanoic acid receptor (AMPAR) for potential use as an imaging agent for Alzheimer’s disease. I (R = Me) and I (R = H) were prepared in eight and nine steps and 3% and 1% yields, resp. Methylation of I (R = H) with 11CH3OTf yielded I as the minor product in 10-15% radiochem. yield (based on [11C]CO2), with N4-methylation as the major reaction. The radiochem. purity was >99%, and the molar activity at end of bombardment (EOB) was 370-740 GBq/μmol with a total synthesis time of 35-40 min from EOB. The lipophilicity of I (R = 11CH3) and its N4-methylated isomer were determined and compared to the calculated lipophilicities for I (R = 11CH3) and its N4- and N2-methylated isomers. In the experiment, the researchers used 3-Methoxyphenylboronic acid(cas: 10365-98-7SDS of cas: 10365-98-7)

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.SDS of cas: 10365-98-7

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

The author of 《2,7-naphthyridinone-based MET kinase inhibitors: A promising novel scaffold for antitumor drug development》 were Zhuo, Lin-Sheng; Xu, Hong-Chuang; Wang, Ming-Shu; Zhao, Xing-E.; Ming, Zhi-Hui; Zhu, Xiao-Lei; Huang, Wei; Yang, Guang-Fu. And the article was published in European Journal of Medicinal Chemistry in 2019. Application of 4637-24-5 The author mentioned the following in the article:

As part of our effort to develop new mol. targeted antitumor drug, a novel 2,7-naphthyridone-based MET kinase inhibitor, I, was identified. Knowledge of the binding mode of BMS-777607 in MET led to the design of new inhibitors that utilize novel 2,7-naphthyridone scaffold to conformationally restrain the key pharmacophoric groups (block C). Detailed SAR studies resulted in the discovery of a new MET inhibitor I, displaying favorable in vitro potency and oral bioavailability. More importantly, I exhibited excellent in vivo efficacy (tumor growth inhibition/TGI of 114% and 95% in 50 mg/kg, resp.) both in the U-87 MG and HT-29 xenograft models. The favorable drug-likeness of I indicated that 2,7-naphthyridinone may be used a promising novel scaffold for antitumor drug development. The preclin. studies of I are under way. The experimental process involved the reaction of N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Application of 4637-24-5)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime. The methylamines occur in small amounts in some plants. Many polyfunctional amines (i.e., those having other functional groups in the molecule) occur as alkaloids in plants—for example, mescaline, 2-(3,4,5-trimethoxyphenyl)ethylamine; the cyclic amines nicotine, atropine, morphine, and cocaine; and the quaternary salt choline, N-(2-hydroxyethyl)trimethylammonium chloride, which is present in nerve synapses and in plant and animal cells.Application of 4637-24-5

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

《Serendipitous discovery of aryl boronic acids as β-lactamase inhibitors》 was published in Bioorganic & Medicinal Chemistry Letters in 2020. These research results belong to Yang, Shu-Wei; Pan, Jianping; Root, Yuriko; Scapin, Giovanna; Xiao, Li; Su, Jing. Quality Control of 3-Methoxyphenylboronic acid The article mentions the following:

High throughput screening for β-lactamase inhibitors afforded biphenyl hits such as 1. Hit confirmation and X-ray soaking experiments with Pseudomonas Aeruginosa AmpC enzyme led to the identification of an aryl boronic acid-serine complex 4, which was formed from Ph boronic acid 8 (an impurity in compound 1) and ethylene glycol (the cryoprotectant in the soaking experiment). In the experiment, the researchers used many compounds, for example, 3-Methoxyphenylboronic acid(cas: 10365-98-7Quality Control of 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.Quality Control of 3-Methoxyphenylboronic acid

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

《Bismuth-Catalyzed Oxidative Coupling of Arylboronic Acids with Triflate and Nonaflate Salts》 was published in Journal of the American Chemical Society in 2020. These research results belong to Planas, Oriol; Peciukenas, Vytautas; Cornella, Josep. Reference of 3-Methoxyphenylboronic acid The article mentions the following:

Herein, a Bi-catalyzed cross-coupling of arylboronic acids with perfluoroalkyl sulfonate salts based on a Bi(III)/Bi(V) redox cycle is presented. An electron-deficient sulfone ligand proved to be key for the successful implementation of this protocol, which allows the unusual construction of C(sp2)-O bonds using com. available NaOTf and KONf as coupling partners. Preliminary mechanistic studies as well as theor. investigations reveal the intermediacy of a highly electrophilic Bi(V) species, which rapidly eliminates Ph triflate. In the experimental materials used by the author, we found 3-Methoxyphenylboronic acid(cas: 10365-98-7Reference of 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.Reference of 3-Methoxyphenylboronic acid

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

《One-pot enzymatic synthesis of enantiopure 1,3-oxathiolanes using Trichosporon laibachii lipase and the kinetic model》 was written by Zhang, Yuanyuan; Sun, Yangjian; Tang, Hui; Zhao, Qiuxiang; Ren, Wenjie; Lv, Kuiying; Yang, Fengke; Wang, Fanye; Liu, Junhong. SDS of cas: 60656-87-3 And the article was included in Organic Process Research & Development in 2020. The article conveys some information:

The dynamic covalent kinetic resolution protocol was efficiently used for the synthesis of the enantiopure ((R)-5-acetoxy-1,3-oxathiolan-2-yl)ethyl benzoate (PR) from substrates 2-(phenylmethoxy)acetaldehyde (A), 1,4-dithiane-2,5-diol (B), and Ph acetate (D) by a one-pot process with 99.6% conversion, 97.3% yield, and 96.5% ee through the combination of reversible hemithioacetal transformation and enantiomer-selective lactonization catalyzed by immobilized lipase from Trichosporon laibachii. A proposed kinetic model consisting of transformation and lactonization was developed herein for the first time, fitting the exptl. data very well. It was concluded that (1) the transformation in a chem. fashion may follow a power law. (2) The enzymic lactonization may follow a sequential mechanism with product inhibition. The reaction kinetic data reveal that phenol (P1) would have strong product inhibition, while noncompetitive inhibition, product inhibition of PR, and substrate inhibition were not recognized. The model suggests that there is a common limitation of both enzyme and chem. in the chemo-enzymic system, and thus the amount of lipase was increased to accelerate the enzymic lactonization and to reduce the limitation caused by the enzymic reaction, resulting in the increase of the yield of PR significantly. The exptl. results demonstrate that both the internal and external mass diffusion resistance could be negligible, and thus the kinetic model developed is the inherent kinetic one. In the part of experimental materials, we found many familiar compounds, such as 2-(Benzyloxy)acetaldehyde(cas: 60656-87-3SDS of cas: 60656-87-3)

2-(Benzyloxy)acetaldehyde(cas: 60656-87-3) is a non-natural aldehyde. It undergoes enantioselective Mukaiyama aldol reaction with silylketene acetal nucleophiles in the presence of C2-symmetric bis(oxazolinyl)pyridine Cu(II) complex (catalyst).SDS of cas: 60656-87-3

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

《Poly(ethylene oxide) helical conformation and alkali metal cation selectivity studied using electrospray ionization mass spectrometry》 was written by Yin, Changna; Fu, Jie; Lu, Xiuyang. Recommanded Product: 33100-27-5 And the article was included in Rapid Communications in Mass Spectrometry in 2020. The article conveys some information:

The poly(ethylene oxide) (PEO)-alkali metal cation interaction is widely used in many areas. The conformation of the PEO-alkali metal cation complex has been studied extensively, but the conformational mechanism is still unclear. Simulations have been used to explain the mechanism, but there is a lack of exptl. data from long PEO chains to verify the simulation results. The relative peak abundance of PEO (iso-C10H21(OC2H4)nOH (naverage = 7,) where n denotes the number of ethylene oxide (EO) units) oligomers complexed to five alkali metal cations (Li+, Na+, K+, Rb+ and Cs+) was studied using pos. electrospray ionization mass spectrometry (ESI-MS). The ion selectivity of PEO oligomers to alkali metal cations corresponded to the peak abundance in competitive ESI-MS. PEO formed its first helix when the number of EO units reached six and the helix played an important role in the ion selectivity of PEO. For larger PEO oligomers with a helix, the ion selectivity of PEO depended on the degree of host-guest matching of the cations and the helix. The highest selectivity of PEO to K+ was due to K+ providing the best shape matching with the helical cavity. For smaller PEO oligomers without a helix, the selectivity was mainly determined by the surface charge d. of the cations. Conclusions : The formational mechanism of the PEO-alkali metal cation complex was predicted. The results gave straightforward evidence to explain the conformational mechanism of the PEO-alkali metal cation complex and provided exptl. data for further simulation studies. In the experiment, the researchers used 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

《Safe Use of Adapalene 0.1 % Gel in a non-Prescription Environment.》 was written by Weiss, Jonathan; Mallavalli, Sreenadh; Meckfessel, Matthew; Griffin, Sean; Wagner, Nathalie. Category: ethers-buliding-blocks And the article was included in Journal of drugs in dermatology : JDD in 2021. The article conveys some information:

BACKGROUND: Topical retinoids are the mainstay of acne therapy and, until 2016, were only available by prescription. The margin of safety (MOS) of adapalene for potential teratogenic effects, and its use in pregnancy were investigated as part of the OTC switch. OBJECTIVE: To determine MOS using a maximal usage trial (MUsT) and animal embryo-fetal development studies. To conduct a thorough review of safety data with respect to use of Adapalene 0.1% Gel during pregnancy. METHODS: The MUsT was multicenter, open-label pharmacokinetic study which enrolled adolescents and adult subjects with mainly severe acne vulgaris. The no observable adverse event level (NOAEL) for adapalene teratogenicity was established in rat and rabbit embryo-fetal development studies. An exhaustive review of pregnancy data from multiple safety databases was conducted. RESULTS: The calculated MOS for teratogenicity was 70 for Adapalene 0.1% Gel. For the pregnancy safety review, no pregnancy malformations were attributable to topical adapalene use. LIMITATIONS: Animal studies do not always predict effects in human development. Additionally, safety data is voluntarily reported and intrinsically incomplete. CONCLUSION: Adapalene has a large and reassuring MOS making it suitable for OTC use. No teratogenic risk was identified in a MUsT and Pregnancy Safety Review. Adapalene 0.1% Gel is a safe and effective medication for the treatment of acne in a non-prescription environment. Based on available evidence, use of adapalene during pregnancy does not pose harm to the fetus. J Drugs Dermatol. 2021;20(12):1330-1335. doi:10.36849/JDD.6527. In the part of experimental materials, we found many familiar compounds, such as 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