Month: October 2022

《Reductive Hydroxymethylation of 4-Heteroarylpyridines》 was written by Hepburn, Hamish B.; Donohoe, Timothy J.. Recommanded Product: 10365-98-7 And the article was included in Chemistry – A European Journal in 2020. The article conveys some information:

The activation of pyridinium salts with electron-withdrawing heterocycles enabled an iridium-catalyzed reductive hydroxymethylation reaction to proceed smoothly, facilitating the preparation of useful 3D heteroaryl-substituted functionalized piperidines. The methodol. was used to prepare 3-hydroxymethylated analogs of pharmaceutical agents. Mechanistically, formaldehyde acts as both a hydride donor and the electrophile, leading to the formation of two new carbon-hydrogen bonds and one new carbon-carbon bond under relatively mild conditions. In the experimental materials used by the author, we found 3-Methoxyphenylboronic acid(cas: 10365-98-7Recommanded Product: 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.Recommanded Product: 10365-98-7

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

《Hydroxide is not a Promoter of C2+ Product Formation in the Electrochemical Reduction of CO on Copper》 was written by Li, Jing; Wu, Donghuan; Malkani, Arnav S.; Chang, Xiaoxia; Cheng, Mu-Jeng; Xu, Bingjun; Lu, Qi. SDS of cas: 33100-27-5 And the article was included in Angewandte Chemie, International Edition in 2020. The article conveys some information:

Highly alk. electrolytes improve the formation rate of C2+ products in the electrochem. reduction of CO2 (CO2) and CO on Cu surfaces, with the assumption that higher OH- concentrations promote the C-C coupling chem. Herein, by systematically varying the concentration of Na+ and OH- at the same absolute electrode potential, higher concentrations of (Na+), rather than OH-, exert the main promotional effect on the production of C2+ products. The impact of the nature and the concentration of cations on the electrochem. reduction of CO is supported by experiments in which a fraction or all of Na+ is chelated by a crown ether. Chelation of Na+ leads to drastic decrease in the formation rate of C2+ products. The promotional effect of OH- determined at the same potential on the reversible H electrode scale is likely caused by larger overpotentials at higher electrolyte pH. In the experimental materials used by the author, we found 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5SDS of cas: 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. SDS of cas: 33100-27-5

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

《Synthesis of Chiral-Substituted 2-Aryl-ferrocenes by the Catellani Reaction》 was written by Thorat, Raviraj Ananda; Jain, Saket; Sattar, Moh.; Yadav, Prateek; Mandhar, Yogesh; Kumar, Sangit. Formula: C7H7IO And the article was included in Journal of Organic Chemistry in 2020. The article conveys some information:

A Pd-catalyzed and norbornene-mediated methodol. was developed for the synthesis of chiral 2-aryl-ferroceneamides from chiral 2-iodo-N,N-diisopropylferrocencarboxamide, iodoarenes, and alkenes using a JohnPhos ligand and K carbonate as a base in DMF at 105°. The developed three-component coupling protocol allows the compatibility of electron-withdrawing fluoro, chloro, ester, and nitro and electron-donating Me, methoxy, dimethoxy, benzyl ether-substituted iodo-benzenes, other iodoarenes, such as iodo-naphthalene, heteroarenes, such as iodothiophene, and terminating substrates, such as Me, Et, tert-Bu acrylates, and substituted styrenes with 2-iodo-N,N-diisopropylferrocencarboxamide. Also, the developed three-component Catellani method proceeded with the retention of the configuration of the planar chiral ferrocene, which depends on the role of the participating C-I bond in ferrocene. Consequently, the developed protocol enabled the formation of densely substituted chiral 2-aryl ferroceneamides, exhibiting good to excellent enantioselectivity. The conversion of an ester of the synthesized chiral 2-aryl ferroceneamides also was carried out to further accommodate the easily expendable acid and alc. functionalities. In the experiment, the researchers used many compounds, for example, 1-Iodo-2-methoxybenzene(cas: 529-28-2Formula: C7H7IO)

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.Formula: C7H7IO

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

Wang, Xiaxia; Xiang, Dinglei; Wang, Ziyi; Wang, Zhaoguo; Yang, Xue; Yu, Shuai; Pang, Qiuxia; Liu, Sheng; Yan, Li published their research in Ecotoxicology and Environmental Safety in 2021. The article was titled 《Label-free quantitative proteomics analysis of Humulus scandens (Lour.) Merr. leaves treated by an odor compound of Periploca sepium Bunge》.Computed Properties of C8H8O3 The article contains the following contents:

The odor compound from Periploca sepium Bunge, 2-hydroxy-4-methoxy-benzaldehyde (HMB), is an allelochem. agent and is one of the least investigated isomers of vanillin. In this study, we used label-free quant. proteomics anal. technol. to investigate the effect of HMB on the protein expression of Humulus scandens (Lour.) Merr. leaves in July 2019 on Guiyang. A total of 269 proteins of 624 identified proteins were differentially expressed, among which 21.18% of the proteins were up-regulated and 32.71% down-regulated. These proteins were classified into 11 cell components and more than 20% of differentially expressed proteins were located in cell membrane and chloroplast. Functional classification anal. showed that 12 mol. functions were altered upon HMB treatment, and the ratio of catalytic activity was the highest (19.53%). At least 12 biol. functions were affected, which involved small mol. metabolic processes, organic substance metabolic processes, gene expression, and photosynthesis. Our data provide resources and insights into the biochem. mechanism by which HMB kills weeds. The experimental process involved the reaction of 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3Computed Properties of C8H8O3)

2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is employed in the synthesis of Schiff base ligand. It is applied as a reactant in the synthesis of LPA1R antagonists used in the inhibition of LPA-induced proliferation and contraction of normal human lung fibroblasts. Also used in the synthesis of tyrosine kinase 6 proteinase inhibitors.Computed Properties of C8H8O3

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

Sanad, Sherif M. H.; Ahmed, Mohamed S. Mohamed; Mekky, Ahmed E. M.; Abdallah, Zeinab A. published their research in Journal of Molecular Structure in 2021. The article was titled 《Regioselective synthesis and theoretical calculations of Bis(pyrido[2′,3′:3,4]pyrazolo[1,5-a]pyrimidines) linked to benzofuran units via piperazine spacer: A DFT, MM2, and MMFF94 study》.Related Products of 4637-24-5 The article contains the following contents:

Bis(enaminone), linked to benzofuran units via piperazine spacer, was prepared and used as a key intermediate in this study. It reacted for 8 h at reflux with two equivalent of 2-cyanothioacetamide in dioxane in the presence of TEA to give the corresponding bis(pyridine-2(1H)-thione) derivative The previous compound was reacted with two equivalent of iodomethane in methanolic sodium methoxide solution at reflux for 1 h to yield the corresponding bis(2-methylthiopyridine) derivative Boiling of the prior compound with hydrazine hydrate in pyridine at reflux for 12 h gave the precursor bis(3-amino-1H-pyrazolo[3,4-b]pyridine) derivative in a good yield. Next, a regioselective protocol was conducted for the synthesis of a diverse series of the target bis(pyrido[2′,3′:3,4]pyrazolo[1,5-a]pyrimidine) derivatives in good to excellent yields. The protocol involved the reaction of bis(3-amino-1H-pyrazolo[3,4-b]pyridine) with two equivalent of prop-2-en-1-ones in DMF in the presence of two equivalent of barium hydroxide at reflux for 5-7 h. To gain a better understanding of the regioselectivity observed in these reactions, DFT calculations were performed using B3LYP method and 6-31+G(d,p) basis set. The favored mechanism and the exptl. regioselectivity of this reaction were explained by calculations of activation energy, natural at. charge, Fukui indexes derived from d. functional theory, MM2, and MMFF94 calculations The current study demonstrated that using the previous computational tools, the regioselectivity of the applied reaction protocol could be correctly predicted. The experimental part of the paper was very detailed, including the reaction process of N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Related Products of 4637-24-5)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime. Nitrous acid converts secondary amines (aliphatic or aromatic) to N-nitroso compounds (nitrosamines): R2NH + HNO2 → R2N―NO. Some nitrosamines are potent cancer-inducing substances, and their possible formation is a serious consideration when nitrites, which are salts of nitrous acid, are present in foods or pharmaceutical preparations. Tertiary amines give rise to nitrosamines more slowly; an alkyl group is eliminated as an aldehyde or ketone, along with nitrous oxide, N2O.Related Products of 4637-24-5

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

Jackson, Garrett D.; Tipping, Max B.; Taylor, Christopher G. P.; Piper, Jerico R.; Pritchard, Callum; Mozaceanu, Cristina; Ward, Michael D. published their research in Chemistry (Basel, Switzerland) in 2021. The article was titled 《A Family of Externally-Functionalised Coordination Cages》.Reference of N,N-Dimethylformamide Dimethyl Acetal The article contains the following contents:

New synthetic routes are presented to derivatives of a (known) M8L12 cubic coordination cage in which a range of different substituents are attached at the C4 position of the pyridyl rings at either end of the bis(pyrazolyl-pyridine) bridging ligands. The substituents are (i) -CN groups (new ligand LCN), (ii) -CH2OCH2-CCH (containing a terminal alkyne) groups (new ligand LCC); and (iii) -(CH2OCH2)3CH2OMe (tri-ethyleneglycol monomethyl ether) groups (new ligand LPEG). The resulting functionalised ligands combine with M2+ ions (particularly Co2+, Ni2+, Cd2+) to give isostructural [M8L12]16+ cage cores bearing 24 external functional groups; the cages based on LCN (with M2+ = Cd2+) and LCC (with M2+ = Ni2+) have been crystallog. characterised. The value of these is twofold: (i) exterior nitrile or alkene substituents can provide a basis for further synthetic opportunities via ′Click′ reactions allowing in principle a diverse range of functionalisation of the cage exterior surface. (ii) the exterior -(CH2OCH2)3CH2OMe groups substantially increase cage solubility in both water and in organic solvents, allowing binding constants of cavity-binding guests to be measured under an increased range of conditions. In the experiment, the researchers used many compounds, for example, N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Reference of N,N-Dimethylformamide Dimethyl Acetal)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime. Large quantities of aliphatic amines are made synthetically. The most widely used industrial method is the reaction of alcohols with ammonia at a high temperature, catalyzed by metals or metal oxide catalysts (e.g., nickel or copper). Mixtures of primary, secondary, and tertiary amines are thereby produced.Reference of N,N-Dimethylformamide Dimethyl Acetal

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

Zheng, Bin; Wang, Shu-Qin; Zhang, Xiao-Ting; Huang, Wan-Yun published their research in Chinese Journal of Structural Chemistry in 2021. The article was titled 《Syntheses and crystal structures of a pair of Z-E enaminonitrile isomerisms》.Electric Literature of C5H13NO2 The article contains the following contents:

A pair of Z-E enaminonitrile isomerisms 2-(3,4-dimethoxyphenyl)-3-((3-methoxyphenyl)amino)acrylonitrile were synthesized and separated by flash column chromatog., and their structures were determined by IR, 1H NMR, 13C NMR, MS and single-crystal X-ray diffraction. The crystal of compound Z-isomer belongs to the monoclinic system, space group C2/c with a = 33.805(7), b = 5.4496(12), c = 18.401(4)Å, β = 112.45(2)°, V = 3133.1(12)Å3, Z = 8, μ = 0.091 mm-1, Dc = 1.143 g·cm-3, the final R = 0.0491 and wR = 0.1439 for 2764 observed reflections. The crystal of compound E-isomer belongs to the triclinic system, space group P1, with a = 8.8403(7), b = 9.0390(6), c = 12.0044(74)Å α = 72.075(5), β = 86.291(5), γ = 81.216(5)°, V = 901.82(10)Å3, Z = 2, T = 293(2) K, μ = 0.079 mm-1, Dc = 1.143 g·cm-3, the final R = 0.0474 and wR = 0.1377 for 3176 observed reflections. The crystal packing of Z and E isomers was governed by intermol. N(2)-H(2)···N(1) and N(2)-H(2)···O(2) interactions resp. to stabilize the structure. In the experiment, the researchers used many compounds, for example, N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Electric Literature of C5H13NO2)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime. Nitrous acid converts secondary amines (aliphatic or aromatic) to N-nitroso compounds (nitrosamines): R2NH + HNO2 → R2N―NO. Some nitrosamines are potent cancer-inducing substances, and their possible formation is a serious consideration when nitrites, which are salts of nitrous acid, are present in foods or pharmaceutical preparations. Tertiary amines give rise to nitrosamines more slowly; an alkyl group is eliminated as an aldehyde or ketone, along with nitrous oxide, N2O.Electric Literature of C5H13NO2

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

Park, Sanghwan; Kim, Yun-Tae; Min, Hyegi; Moon, Seung Min; Lee, Seongwoo; Lee, Chang Young published their research in ACS Applied Materials & Interfaces in 2021. The article was titled 《Alkalide-Assisted Direct Electron Injection for the Noninvasive n-Type Doping of Graphene》.Application of 33100-27-5 The article contains the following contents:

Although the doping of graphene grown by chem. vapor deposition is crucial in graphene-based electronics, noninvasive methods of n-type doping have not been widely investigated in comparison with p-type doping methods. We developed a convenient and robust method for the noninvasive n-type doping of graphene, wherein electrons are directly injected from sodium anions into the graphene. This method involves immersing the graphene in solutions of [K(15-crown-5)2]Na prepared by dissolving a sodium-potassium (NaK) alloy in a 15-crown-5 solution The n-type doping of the graphene was confirmed by downshifted G and 2D bands in Raman spectra and by the Dirac point shifting to a neg. voltage. The electron-injected graphene showed no sign of structural damage, exhibited higher carrier mobilities than that of pristine graphene, and remained n-doped for over a month of storage in air. In addition, we demonstrated that electron injection enhances noncovalent interactions between graphene and metallomacrocycle mols. without requiring a linker, as used in previous studies, suggesting several potential applications of the method in modifying graphene with various functionalities. After reading the article, we found that the author used 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Application 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. Application of 33100-27-5

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

Cordero, Jose Andres; He, Kai; Janya, Kanjira; Echigo, Shinya; Itoh, Sadahiko published an article in 2021. The article was titled 《Predicting formation of haloacetic acids by chlorination of organic compounds using machine-learning-assisted quantitative structure-activity relationships》, and you may find the article in Journal of Hazardous Materials.Category: ethers-buliding-blocks The information in the text is summarized as follows:

The presence of disinfection byproducts (DBPs) in drinking water is a major public health concern, and an effective strategy to limit the formation of these DBPs is to prevent their precursors. In silico prediction from chem. structure would allow rapid identification of precursors and could be used as a prescreening tool to prioritize testing. We present models using machine learning algorithms (i.e., support vector regressor, random forest regressor, and multilayer perceptron regressor) and chem. descriptors as features to predict the formation of haloacetic acids (HAAs). A robust model with good predictivity (i.e., leave-one-out cross-validated Q2 > 0.5) to predict the formation of trichloroacetic acid (TCAA) was developed using a random forest regressor. The number of aromatic bonds, hydrophilicity, and electrotopol. descriptors related to electrostatic interactions and the at. distribution of electronegativity were identified as important predictors of TCAA formation potentials (FPs). However, the prediction of dichloroacetic acid was less accurate, which is congruent with the presence of different types of precursors exhibiting distinct mechanisms. This study demonstrates that nonlinear combinations of general chem. descriptors can adequately estimate HAAFPs, and we hope that our study can be used to predict precursors of other disinfection byproducts based on chem. structures using a similar workflow. In the experiment, the researchers used many compounds, for example, m-Methoxyphenol(cas: 150-19-6Category: ethers-buliding-blocks)

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)-benzoxazoloneCategory: ethers-buliding-blocks

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

In 2022,Cyr, Patrick; Joseph-Valcin, Eve-Marline; Boissarie, Patrick; Simoneau, Bruno; Marinier, Anne published an article in European Journal of Organic Chemistry. The title of the article was 《Copper-Catalyzed N1 Coupling of 3-Aminoindazoles and Related Aminoazoles with Aryl Bromides》.Synthetic Route of C7H7BrO The author mentioned the following in the article:

The N1-selective arylation of 3-aminoindazoles using copper catalysis was reported. The reaction used readily accessible aryl bromides as coupling partners, including those from heterocycles and allowed easy access to a broad variety of substituted 3-aminoindazoles. The methodol. was also examined on other aminoazoles of interest for the pharmaceutical industry. In the experimental materials used by the author, we found 1-Bromo-3-methoxybenzene(cas: 2398-37-0Synthetic Route 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.Synthetic Route of C7H7BrO

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