Month: October 2022

《GC-MS analysis of N-(bromodimethoxybenzyl)-2-, 3-, and 4-methoxyphenethylamines: Inverse analogues of the psychoactive 25B-NBOMe drug》 was written by Almalki, Ahmad J.; Clark, C. Randall; Abiedalla, Younis; DeRuiter, Jack. Related Products of 135-02-4 And the article was included in Forensic Chemistry in 2020. The article conveys some information:

The substituted phenethylamine analogs in this study are derivatives of N-(2-methoxybenzyl)-4-bromo-2,5-dimethoxyphenethylamine (25B-NBOMe) having the reverse substitution pattern for two aromatic rings. The nine regioisomeric compounds were prepared from the regioisomeric 2-, 3-, and 4- methoxyphenethylamines via N-reductive alkylation with the three regioisomeric 2,4,5-substituted bromodimethoxybenzaldehydes. The EI-MS spectra of these regioisomers gave two major bromine containing ions at m/z 229/231 (base peak) and 258/260 and two non-brominated fragments at m/z 91 and 121. The relative abundance of the m/z 91 was higher for the 2-methoxyphenethylamine substituted isomers and relative abundance of the m/z 121 fragment was higher in the 4-methoxy substituted isomers. The gas chromatog. separation for the regioisomeric methoxyphenethylamines of each bromodimethoxybenzyl aromatic ring substitution pattern showed 2-methoxyphenethylamine substituted isomer eluted first followed by the 3-substituted isomer and 4-methoxyphenethylamine substituted isomer was last to elute and the three bromodimethoxybenzyl regioisomers for the 2-methoxyphenethylamine subseries were resolved as the trifluoroacetamides. The EI-MS for the TFA derivatives of the 2-bromo-4,5-dimethoxybenzyl substituted isomer gave unique fragment ions resulting from displacement of bromine from the mol. ion. This fragmentation pathway was confirmed using the model compounds N-(2-, 3- and 4-bromobenzyl)phenethylamine trifluoroacetamides. In the experiment, the researchers used 2-Methoxybenzaldehyde(cas: 135-02-4Related Products of 135-02-4)

2-Methoxybenzaldehyde(cas: 135-02-4) is found in cassia oil, cinnamon bark, and cinnamon bark oil. It is a clear colorless liquid with a strong aroma. It has been used to examine the acaricidal activity of Periploca sepium oil and its active component against Tyrophagus putrescentiae.Related Products of 135-02-4

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

Tavakolian, Mina; Keshavarz, Kimia; Hosseini-Sarvari, Mona published their research in Molecular Catalysis in 2021. The article was titled 《Cu2O/TiO2 as sustainable and recyclable photocatalyst for gram-scale synthesis of phenols in water》.Product Details of 150-19-6 The article contains the following contents:

A green and straightforward protocol was developed for the synthesis of phenols from aryl boronic acid using an inexpensive and available Cu2O/TiO2 photocatalyst under visible light and sunlight. This approach proceeded in mild reaction conditions in water and the presence of air as a green oxidant, resulting in the corresponding phenols in good to excellent yields. Sunlight was also a sustainable source for this photochem. reaction. Heterogeneous nano photocatalyst was successfully recovered in 8 consecutive runs. It is noteworthy that, the photocatalyst exhibited high activity for the large-scale synthesis of phenols. The experimental process involved the reaction of m-Methoxyphenol(cas: 150-19-6Product Details of 150-19-6)

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)-benzoxazoloneProduct Details of 150-19-6

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

In 2022,Indris, Sylvio; Bredow, Thomas; Schwarz, Bjoern; Eichhoefer, Andreas published an article in Inorganic Chemistry. The title of the article was 《Paramagnetic 7Li NMR Shifts and Magnetic Properties of Divalent Transition Metal Silylamide Ate Complexes [LiM{N(SiMe3)2}3] (M2+ = Mn, Fe, Co)》.HPLC of Formula: 33100-27-5 The author mentioned the following in the article:

7Li NMR shifts and magnetic properties have been determined for three so-called ate complexes [LiM{N(SiMe3)2}3] (M2+ = Mn, Fe, Co; e.g., named lithium-tris(bis(trimethylsilylamide))-manganate(II) in accordance with a formally neg. charge assigned to the complex fragment [M{N(SiMe3)2}3]-, which comprises the transition metal). They are formed by addition reactions of LiN(SiMe3)2 and [M{N(SiMe3)2}2] and stabilized by Lewis base/Lewis acid interactions. The results are compared to those of the related “”ion-separated”” complexes [Li(15-crown-5)][M{N(SiMe3)2}3]. The ate complexes with the lithium atoms connected to the 3d metal atoms manganese, iron, or cobalt via μ2 nitrogen bridges reveal strong 7Li NMR paramagnetic shifts of about -75, 125, and 171 ppm, resp., whereas the shifts for the lithium ions coordinated by the 15-crown-5 ether are close to zero. The observed trends of the 7Li NMR shifts are confirmed by d.-functional theory calculations The magnetic dc and ac properties display distinct differences for the six compounds under investigation. Both manganese compounds, [LiMn{N(SiMe3)2}3] and [Li(15-crown-5)][Mn{N(SiMe3)2}3], display almost pure and ideal spin-only paramagnetic behavior of a 3d5 high-spin complex. In this respect slightly unexpected, both complexes show slow relaxation behavior at low temperatures under applied dc fields, which is especially pronounced for the ate complex [LiMn{N(SiMe3)2}3]. Dc magnetic properties of the iron complexes reveal moderate g-factor anisotropies with small values of the axial magnetic anisotropy parameter D and a larger E (transversal anisotropy). Both complexes display at low temperatures and, under external dc fields of up to 5000 Oe, only weak ac signals with no maxima in the frequency range from 1 to 1500 s-1. In contrast, the two cobalt complexes display strong g-factor anisotropies with large values of D and E. In addition, in both cases, the ac measurements at low temperatures and applied dc fields reveal two, in terms of their frequency range, well separated relaxation processes with maxima lying for the most part outside of the measurement range between 1 and 1500 s-1. In the experimental materials used by the author, we found 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5HPLC of Formula: 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. HPLC of Formula: 33100-27-5

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

Quality Control of 1,2-DiphenyldisulfaneIn 2020 ,《Selective and efficient oxidation of sulfides and thiols to their corresponding sulfoxides and disulfides catalyzed with praseodymium (III) and dysprosium (III) isonicotinamide (INA) complexes grafted onto modified mesoporous MCM-41》 was published in Solid State Sciences. The article was written by Molaei, Somayeh; Ghadermazi, Mohammad. The article contains the following contents:

Praseodymium (III) and dysprosium (III) isonicotinamide (INA) complexes grafted onto modified mesoporous MCM-41 with 3-chloropropyltriethoxysilane (CPTES), as two novel catalysts, were synthesized. The catalysts were determined using SEM, Mapping, EDX, FT-IR, TGA, XRD, ICP, and BET anal. The catalysts (MCM-41-INA-Pr and MCM-41-INA-Dy) were further studied for the oxidation reaction of sulfur-containing compounds Catalytic results displayed that the MCM-41-INA-Pr and MCM-41-INA-Dy show high effectiveness for promoting the oxidation reaction of sulfur-containing compounds The catalysts could be recycled for seven runs with negligible destruction of catalytic performance. The experimental part of the paper was very detailed, including the reaction process of 1,2-Diphenyldisulfane(cas: 882-33-7Quality Control of 1,2-Diphenyldisulfane)

1,2-Diphenyldisulfane(cas: 882-33-7) belongs to ethers.Ethers do have nonbonding electron pairs on their oxygen atoms, and they can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O―H or N―H bonds. The ability to form hydrogen bonds with other compounds makes ethers particularly good solvents for a wide variety of organic compounds and a surprisingly large number of inorganic compounds.Quality Control of 1,2-Diphenyldisulfane

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

Category: ethers-buliding-blocksIn 2020 ,《Advanced development of a non-ionic surfactant and cholesterol material based niosomal gel formulation for the topical delivery of anti-acne drugs》 was published in Materials Advances. The article was written by Shah, Akhilesh; Boldhane, Sanjay; Pawar, Atmaram; Bothiraja, Chellampillai. The article contains the following contents:

The aim of the present investigation was to develop adapalene (ADP), a high lipophilicity and low solubility anti-acne drug-loaded niosomal topical gel formulation, in order to improve its therapeutic efficacy. ADP niosomes were prepared using Span 60 and cholesterol using a modified ethanol injection method. A design of experiments (DOE) study was conducted to optimize ADP loaded niosomes. The potential of ADP niosomes was investigated for in vitro release and ex vivo skin permeation studies. Addnl., ADP niosomes were loaded into the Carbopol 934 gel and studied for its skin irritation, skin deposition and ex vivo skin permeation potential. The developed ADP niosomes showed the mean particle size, zeta potential, and entrapment efficiency of 278 nm, -17.99 mV, and 86%, resp. The optimized ADP niosomes showed controlled drug release up to 12 h. Nevertheless, the niosomal gel displayed controlled drug release up to 24 h with a reduction in skin irritation in Wistar rats. An in vivo skin deposition study showed 2.5-fold higher ADP retention in the stratum corneum layer as compared to the com. ADP formulation. The ADP niosomal gel would be a safe and valuable alternative to the conventional delivery systems for the treatment of acne. 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) is a third-generation synthetic retinoid and a highly lipophilic compound derived from naphthoic acid. It is widely used in the treatment of acne.Category: ethers-buliding-blocks

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

Recommanded Product: 3-Methoxyphenylboronic acidIn 2021 ,《Modifications on the tetrahydroquinoline scaffold targeting a phenylalanine cluster on GPER as antiproliferative compounds against renal, liver and pancreatic cancer cells》 was published in Pharmaceuticals. The article was written by Mendez-Luna, David; Morelos-Garnica, Loreley Araceli; Garcia-Vazquez, Juan Benjamin; Bello, Martiniano; Padilla-Martinez, Itzia Irene; Fragoso-Vazquez, Manuel Jonathan; Gonzalez, Alfonso Duenas; De Pedro, Nuria; Gomez-Vidal, Jose Antonio; Mendoza-Figueroa, Humberto Lubriel; Correa-Basurto, Jose. The article contains the following contents:

The implementation of chemo- and bioinformatics tools is a crucial step in the design of structure-based drugs, enabling the identification of more specific and effective mols. against cancer without side effects. In this study, three new compounds were designed and synthesized with suitable absorption, distribution, metabolism, excretion and toxicity (ADME-tox) properties and high affinity for the G protein-coupled estrogen receptor (GPER) binding site by in silico methods, which correlated with the growth inhibitory activity tested in a cluster of cancer cell lines. Docking and mol. dynamics (MD) simulations accompanied by a mol. mechanics/generalized Born surface area (MMGBSA) approach yielded the binding modes and energetic features of the proposed compounds on GPER. These in silico studies showed that the compounds reached the GPER binding site, establishing interactions with a phenylalanine cluster (F206, F208 and F278) required for GPER mol. recognition of its agonist and antagonist ligands. Finally, a 3-(4,5-dimethylthiazol-2-yl)2,5-diphenyltetrazolium bromide (MTT) assay showed growth inhibitory activity of compounds 4, 5 and 7 in three different cancer cell lines-MIA Paca-2, RCC4-VA and Hep G2-at micromolar concentrations These new mols. with specific chem. modifications of the GPER pharmacophore open up the possibility of generating new compounds capable of reaching the GPER binding site with potential growth inhibitory activities against nonconventional GPER cell models.3-Methoxyphenylboronic acid(cas: 10365-98-7Recommanded Product: 3-Methoxyphenylboronic acid) was used in this study.

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

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

In 2015,Dalton Transactions included an article by Figueira, Joao; Czardybon, Wojciech; Mesquita, Jose Carlos; Rodrigues, Joao; Lahoz, Fernando; Russo, Luca; Valkonen, Arto; Rissanen, Kari. Recommanded Product: 74029-40-6. The article was titled 《Synthesis, characterization and solid-state photoluminescence studies of six alkoxy phenylene ethynylene dinuclear palladium(II) rods》. The information in the text is summarized as follows:

A rare family of six discrete binuclear [PdCl(PEt3)2] phenylene ethynylene rods with alkoxy side chains (methoxy, ethoxy and heptoxy) were developed, and their solid-state photoluminescence results were presented and discussed. The shorter bridging ligands are H-CC-C6H2(R)2-CC-H, where R = H, OCH3, OC2H5, and OC7H15, whereas the longer ones are based on H-CC-C6H4-CC-C6H2(R)2-CC-C6H4-CC-H, where R = OCH3, OC2H5. These ligands display increasing length in both the main dimension (backbone length) as well as the number of carbons in the side chains (R, alkoxide side chain) that stem from the central phenylene moiety. The x-ray crystal structures of two of the prepared complexes are reported: one corresponds to a shorter rod, 1,4-bis[trans-(PEt3)2ClPd-CC]-2,5-diethoxybenzene (6c), while the 2nd one is associated with a longer rod, the binuclear complex 1,4-bis[trans-(PEt3)2ClPd-4-(-CC-C6H4-CC)]-2,5-diethoxybenzene (7c). All new compounds were characterized by NMR spectroscopy (1H, 13C{1H} and 31P{1H}) as well as ESI-MS(TOF), EA, FTIR, UV-visible, cyclic voltammetry and solid-state photoluminescence. The authors’ work shows the influence of the alkoxy side chains on the electronic structure of the family of binuclear Pd rods by lowering its oxidation potential. In addition to this, the increase of the length of the bridge results in a higher oxidation potential. Solid state photoluminescence results indicate that Pd complexes were characterized by a marked decrease in both the emission intensity and the fluorescence lifetime values as compared to their ligands. This behavior could be due to some degree of ligand-to-metal charge transfer. The experimental part of the paper was very detailed, including the reaction process of 1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6Recommanded Product: 74029-40-6)

1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6) belongs to ethers.Ethers do have nonbonding electron pairs on their oxygen atoms, and they can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O―H or N―H bonds. The ability to form hydrogen bonds with other compounds makes ethers particularly good solvents for a wide variety of organic compounds and a surprisingly large number of inorganic compounds.Recommanded Product: 74029-40-6

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

Resta, C.; Pescitelli, G.; Di Bari, L. published an article on January 31 ,2018. The article was titled 《Impact and amplification of chirality in the aggregation of leucine-appended poly(p-phenylene ethynylene) (PPE)》, and you may find the article in European Polymer Journal.Related Products of 74029-40-6 The information in the text is summarized as follows:

A leucine-appended poly(p-phenyleneethynylene) (PPE) was prepared in enantiomeric stereoregular (L-1 and D-1) and stereorandom (rac-1) forms. The solution aggregates of L-1, D-1, rac-1, and mixtures of L-1/D-1, were characterized by absorption, electronic CD and emission spectra. Both rac-1 and L-1/D-1 mixtures are more prone to aggregate than L-1 and D-1. Upon aggregating, the enantiomeric mixtures manifest an apparent majority-rules effect, which is mostly due to the greater tendency to form heterochiral aggregates with respect to homochiral ones. The impact of chirality on the aggregation behavior of the aminoacid-appended PPE is demonstrated. The experimental part of the paper was very detailed, including the reaction process of 1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6Related Products of 74029-40-6)

1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6) belongs to ethers. Ethers lack the hydroxyl groups of alcohols. Without the strongly polarized O―H bond, ether molecules cannot engage in hydrogen bonding with each other. Related Products of 74029-40-6

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

Van Averbeke, Bernard; Beljonne, David published their research in ChemPhysChem on December 7 ,2009. The article was titled 《Energy Transport along Conjugated Polymer Chains with Extended Radiative Lifetimes: A Theoretical Study》.Related Products of 74029-40-6 The article contains the following contents:

The ability to improve exciton diffusion lengths is a key issue in optimizing many opto-electronic devices based on conjugated polymers. On the basis of quantum-chem. calculations, we investigate a strategy consisting of extending the radiative lifetime of energy carriers through incorporation along the polymer backbone of repeating units with forbidden optical transition. The results obtained for poly(p-phenylenebutadiyne), PPE, and poly(p-triphenylenebutadiyne), PTPE, show that the larger number of hops performed by the electronic excitations during their lifetime in PTPE is compensated by the smaller hopping length (associated with the reduced conjugation length), so that similar on-chain diffusion lengths are predicted in both polymers. The results came from multiple reactions, including the reaction of 1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6Related Products of 74029-40-6)

1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6) belongs to ethers.Oxygen is more electronegative than carbon, thus the alpha hydrogens of ethers are more acidic than those of simple hydrocarbons. Related Products of 74029-40-6 They are far less acidic than alpha hydrogens of carbonyl groups (such as in ketones or aldehydes), however.

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

Wuttke, Evelyn; Pevny, Florian; Hervault, Yves-Marie; Norel, Lucie; Drescher, Malte; Winter, Rainer F.; Rigaut, Stephane published an article on February 6 ,2012. The article was titled 《Fully Delocalized (Ethynyl)(vinyl)phenylene Bridged Triruthenium Complexes in up to Five Different Oxidation States》, and you may find the article in Inorganic Chemistry.Application In Synthesis of 1,4-Diethynyl-2,5-dimethoxybenzene The information in the text is summarized as follows:

Triruthenium [(dppe)2Ru{-CC-1,4-C6H2-2,5-R2-CH:CH-RuCl(CO)(PiPr3)2}2]n+ (4a, R = H; 4b, R = OMe) containing unsym. (ethynyl)(vinyl)phenylene bridging ligands and displaying five well-separated redox states (n = 0-4) are compared to their bis(alkynyl)ruthenium precursors (dppe)2Ru{-CC-1,4-C6H2-2,5-R2-CCR’} (2a,b: R’ = TMS; 3a,b: R’ = H) and their sym. substituted bimetallic congeners, complexes {Cl(dppe)2Ru}2{μ-CC-1,4-C6H2-2,5-R2-CC} (Aa, R = H; Ab, R = OMe) and {RuCl(CO)(PiPr3)2}2{μ-CH:CH-1,4-C6H2-2,5-R2-CH:CH} (Va, R = H; Vb, R = OMe) as well as the mixed (ethynyl)(vinyl)phenylene bridged [Cl(dppe)2Ru-CC-1,4-C6H4-CH:CH-RuCl(CO)(PiPr3)2] (Ma). Successive 1-electron transfer steps were studied by cyclic voltammetry, EPR and UV-visible-NIR-IR spectroelectrochem. The 1st oxidation mainly involves the central bis(alkynyl) Ru moiety with only limited effects on the appended vinyl Ru moieties. The 2nd to 4th oxidations (n = 2, 3, 4) involve the entire C-rich conjugated path of the mol. with an increased charge uniformly distributed between the two arms of the mols., including the terminal vinyl Ru sites. To assess the charge distribution, the authors judiciously use 13CO labeled analogs to distinguish stretching vibrations due to the acetylide triple bonds and the intense and charge-sensitive Ru(CO) IR probe in different oxidation states. The comparison between complex pairs 4a,bn+ (n = 0-3), Aa,bn+ and Va,bn+ (n = 0-2) serves to elucidate the effect of the methoxy donor substituents on the redox and spectroscopic properties of these systems in their various oxidation states and on the metal/ligand contributions to their frontier orbitals. In the experimental materials used by the author, we found 1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6Application In Synthesis of 1,4-Diethynyl-2,5-dimethoxybenzene)

1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6) belongs to ethers.Although ethers resist hydrolysis, they are cleaved by hydrobromic acid and hydroiodic acid. Hydrogen chloride cleaves ethers only slowly. Application In Synthesis of 1,4-Diethynyl-2,5-dimethoxybenzene

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