Month: October 2022

Denning, Derek M.; Pedowitz, Nichole J.; Thum, Matthew D.; Falvey, Daniel E. published the artcile< Uncaging alcohols using UV or visible light photoinduced electron transfer to 9-phenyl-9-tritylone ethers>, Safety of 4-(4-Methoxyphenyl)-1-butanol, the main research area is uncaging alc UV visible light photoinduced electron transfer; phenyl tritylone ether.

The clean and efficient photorelease of primary and secondary alcs. is reported from the deprotection of a new photoremovable protecting group, the 9-phenyltritylone (PTO) group. Deprotection is initiated by 350 nm excitation of the PTO chromophore in the presence of triethylamine or using 447 nm light in the presence of a visible light absorbing photocatalyst and triethylamine. Laser flash photolysis results are reported in support of a proposed deprotection mechanism for the release of alcs. on a ca. 20 μs time scale.

Organic Letters published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, Safety of 4-(4-Methoxyphenyl)-1-butanol.

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

Mhlongo, Msizi I.; Piater, Lizelle A.; Dubery, Ian A. published the artcile< Profiling of Volatile Organic Compounds from Four Plant Growth-Promoting Rhizobacteria by SPME-GC-MS: A Metabolomics Study>, Reference of 608141-42-0, the main research area is PGPR volatile organic compound metabolomics profiling SPME GCMS; metabolomics profiling; multivariate data analysis (MVDA); plant growth promoting rhizobacteria (PGPR); solid-phase micro-extraction gas chromatography mass spectrometry (SPME–GC–MS); volatile organic compounds (VOCs).

The rhizosphere microbiome is a major determinant of plant health. Plant-beneficial or plant growth-promoting rhizobacteria (PGPR) influence plant growth, plant development and adaptive responses, such as induced resistance/priming. These new eco-friendly choices have highlighted volatile organic compounds (biogenic VOCs) as a potentially inexpensive, effective and efficient substitute for the use of agrochems. Secreted bacterial VOCs are low mol. weight lipophilic compounds with a low b.p. and high vapor pressures. As such, they can act as short- or long-distance signals in the rhizosphere, affecting competing microorganisms and impacting plant health. In this study, secreted VOCs from four PGPR strains (Pseudomonas koreensis (N19), Ps. fluorescens (N04), Lysinibacillus sphaericus (T19) and Paenibacillus alvei (T22)) were profiled by solid-phase micro-extraction gas chromatog. mass spectrometry (SPME-GC-MS) combined with a multivariate data anal. Metabolomic profiling with chemometric analyses revealed novel data on the composition of the secreted VOC blends of the four PGPR strains. Of the 121 annotated metabolites, most are known as bioactives which are able to affect metabolism in plant hosts. These VOCs belong to the following classes: alcs., aldehydes, ketones, alkanes, alkenes, acids, amines, salicylic acid derivatives, pyrazines, furans, sulfides and terpenoids. The results further demonstrated the presence of species-specific and strain-specific VOCs, characterized by either the absence or presence of specific VOCs in the different strains. These mols. could be further investigated as biomarkers for the classification of an organism as a PGPR and selection for agricultural use.

Metabolites published new progress about Acids Role: ANT (Analyte), PUR (Purification or Recovery), ANST (Analytical Study), PREP (Preparation). 608141-42-0 belongs to class ethers-buliding-blocks, and the molecular formula is C12H19NO4S, Reference of 608141-42-0.

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

Siddiqui, Sheema; Bhawar, Ramesh; Geetharani, K. published the artcile< Iron-Based Catalyst for Borylation of Unactivated Alkyl Halides without Using Highly Basic Organometallic Reagents>, Safety of 1-Bromo-2-methoxyethane, the main research area is alkyl halide unactivated borylation catalyst iron amide complex; alkylboronate preparation borylation unactivated alkyl halide iron hexamethyldisilazide catalyst.

The mild borylation of alkyl bromides and chlorides with bis(neopentylglycolato)diborane (B2neop2) mediated by iron-bis amide is described. The reaction proceeds with a broad substrate scope and good functional group compatibility. Moreover, sufficient catalytic activity was obtained for primary and secondary alkyl halides. Mechanistic studies indicate that the reaction proceeds through a radical pathway.

Journal of Organic Chemistry published new progress about Amines Role: CAT (Catalyst Use), USES (Uses) (amido complexes). 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, Safety of 1-Bromo-2-methoxyethane.

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

Shenghur, Abraham; Weber, Kevin H.; Nguyen, Nhan D.; Sontising, Watit; Tao, Fu-Ming published the artcile< Theoretical Study of the Hydrogen Abstraction of Substituted Phenols by Nitrogen Dioxide as a Source of HONO>, Name: 2-Amino-3-methoxyphenol, the main research area is nitrogen dioxide hydrogen abstraction phenol nitrous acid formation.

The mild yet promiscuous reactions of nitrogen dioxide (NO2) and phenolic derivatives to produce nitrous acid (HONO) have been explored with d. functional theory calculations The reaction is found to occur via four distinct pathways with both proton coupled electron transfer (PCET) and hydrogen atom transfer (HAT) mechanisms available. While the parent reaction with phenol may not be significant in the gas phase, electron donating groups in the ortho and para positions facilitate the reduction of nitrogen dioxide by electronically stabilizing the product phenoxy radical. Hydrogen bonding groups in the ortho position may addnl. stabilize the nascent resonantly stabilized radical product, thus enhancing the reaction. Catechol (ortho-hydroxy phenol) has a predicted overall free energy change ΔG0 = -0.8 kcal mol-1 and electronic activation energy Ea = 7.0 kcal mol-1. Free amines at the ortho and para positions have ΔG0 = -3.8 and -1.5 kcal mol-1; Ea = 2.3 and 2.1 kcal mol-1, resp. The results indicate that the hydrogen abstraction reactions of these substituted phenols by NO2 are fast and spontaneous. Hammett constants produce a linear correlation with bond dissociation energy (BDE) demonstrating that the BDE is the main parameter controlling the dark abstraction reaction. The implications for atm. chem. and ground-level nitrous acid production are discussed.

Journal of Physical Chemistry A published new progress about Abstraction reaction enthalpy. 40925-69-7 belongs to class ethers-buliding-blocks, and the molecular formula is C7H9NO2, Name: 2-Amino-3-methoxyphenol.

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

Marx, Lisa; Lamberty, Daniel; Choppin, Sabine; Colobert, Francoise; Speicher, Andreas published the artcile< Atroposelective Synthesis of Isoriccardin C through a C-H Activated Heck Type Macrocyclization>, Recommanded Product: 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, the main research area is atroposelective synthesis isoriccardin C carbon hydrogen activated Heck macrocyclization.

Macrocyclization is typically the key step in syntheses of cyclophane-type natural products. Considering compounds with axially chiral biaryl moieties, the control of atroposelectivity is essential for biol. activity and is synthetically challenging. Herein we report on atroposelective macrocyclization involving an oxidative Heck type process and enabling the first atropo-enantiopure synthesis of (P)-isoriccardin C (I). A chiral sulfinyl auxiliary in the ortho-position of a biaryl axis (still flexible) was used to induce a C-H activated atropodiastereoselective oxidative Heck coupling (>98% de). The traceless character of the sulfinyl auxiliary enables the introduction of a hydroxy group to give the target mol. with >98% ee as well.

European Journal of Organic Chemistry published new progress about Atropisomers. 190788-60-4 belongs to class ethers-buliding-blocks, and the molecular formula is C13H19BO3, Recommanded Product: 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

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

Zhou, Ning; Wang, Yufeng; Zhou, Yang; Shen, Jinyou; Zhou, Yong; Yang, Yong published the artcile< Star-shaped multi-arm polymeric ionic liquid based on tetraalkylammonium cation as high performance gel electrolyte for lithium metal batteries>, COA of Formula: C3H7BrO, the main research area is polymerized ionic liquid starshaped lithium metal battery gel electrolyte.

Star-shaped polymeric ionic liquids (PIL-3 and PIL-4) based on poly(2-(dimethyl-ethyl-amino)ethyl methacrylate) bis(trifluoromethylsulfonyl)imide (P(EtDMAEMA-TFSI)) with three-arm and four-arm architectures were prepared through atom transfer radical polymerization (ATRP) and ion exchange. Subsequently, gel polymer electrolytes (GPEs) comprising PIL host, N,N-diethyl-N-methyl-N-(2-methoxyethyl)ammonium bis(trifluoromethylsulfonyl)imide (DEME-TFSI) ionic liquid (IL) plasticizer with the same anion unit and LiTFSI salt were obtained. Compared with the linear PIL possessing the same elements, the increase of branches for PIL decreases the crystallity and glass transition temperature (Tg) of the corresponding GPEs. Accordingly, the ionic conductivity, electrochem. window and ion transport number of three-arm and four-arm PILs based GPEs (PIL-GPE-3 and PIL-GPE-4) are obviously superior to the linear contrastive sample. Among lithium metal batteries assembled by linear, three-arm and four-arm PILs based GPEs, Li/PIL-GPE-4/LiFePO4 presents the best performance. The specific discharge capacity attains 151 mAh g-1 at 0.1 C, the capacity retention ratio achieves 93.6% after 100 cycles at 60 °C, and the coulombic efficiency is around 99%. The outstanding compatibility between PIL-4 and IL and the resulted interfacial stability between PIL-GPE-4 and electrodes both contribute to the excellent performance.

Electrochimica Acta published new progress about Atom transfer radical polymerization. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, COA of Formula: C3H7BrO.

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

He, Ying-Jie; Qin, Yan; Zhang, Tie-Li; Zhu, Yan-Yan; Wang, Zhao-Jie; Zhou, Zhong-Shun; Xie, Tian-Zhen; Luo, Xiao-Dong published the artcile< Migration of (non-) intentionally added substances and microplastics from microwavable plastic food containers>, Recommanded Product: 2,2′-(Tridecylazanediyl)diethanol, the main research area is microplastic microwavable toxic plastic food container migration; (Non-) intentionally added substances; High resolution mass spectrometry; Microplastics; Scanning electron microscopy.

Microwavable plastic food containers (MPFCs) are extensively used for food storage, cooking, rapid heating and as take-out containers. There is an urgent need to investigate whether MPFCs pose potential health risks, as a result of the migration of chems. into foods. Herein, 42 intentionally added substances (IAS) and > 100 non-IAS (NIAS) migrating from MPFCs were identified in food simulants according to Regulation (EU). The migration of major IAS and NIAS was higher in 95% ethanol compared to other simulants, and gradually decreased following repeated use. NIAS, including Cramer class III toxic compounds, such as PEG oligomers of N,N-bis(2-hydroxyethyl) alkyl(C8-C18)amines, isomers of hexadecanamide and oleamide, and Irgafos 168 OXO were detected and exceeded the recommended limits in some MPFCs. Furthermore, microplastics (MPs) were detected with high values of over one million particles/L in some MPFCs in a single test, and migration behaviors of MPs in different MPFCs were diverse. Surprisingly, this rigorous migration might result in an annual intake of IAS/NIAS up to 55.15 mg and 150 million MPs particles if take-out food was consumed once a day. Multi-safety evaluation studies on the migration of various chems. from MPFCs to foodstuffs during food preparation should be assessed.

Journal of Hazardous Materials published new progress about Caenorhabditis elegans. 18312-57-7 belongs to class ethers-buliding-blocks, and the molecular formula is C17H37NO2, Recommanded Product: 2,2′-(Tridecylazanediyl)diethanol.

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

Bhagwat, Shripad S.; Gude, Candido; Boswell, Clay; Contardo, Nicolina; Cohen, David S.; Dotson, Ronald; Mathis, Janice; Lee, Warren; Furness, Patricia; Zoganas, Harry published the artcile< Thromboxane receptor antagonism combined with thromboxane synthase inhibition. 4. 8-[[(4-Chlorophenyl)sulfonyl]amino]-4-[3-(3-pyridinyl)propyl]octanoic acid and analogs>, Application of C11H16O2, the main research area is chlorophenylsulfonylaminopyridinylpropyloctanoic acid preparation thromboxane antagonist; arylsulfonylaminopyridinylpropyloctanoic acid analog preparation thromboxane antagonist; thromboxane receptor antagonist synthase inhibitor arylsulfonylaminopyridinylpropyloctanoic.

The title compound [I, A = (CH2)2CO2H, B = (CH2)3Py, X = Cl; Py = 3-pyridyl] (II) and its analogs were synthesized and found to possess two activities, the inhibition of the biosynthesis of thromboxane A2 and antagonism of its receptors. Thus, II was prepared via arylsulfonylation of Et 6-amino-2-[(3-pyridinyl)propyl)]hexanoate, reduction, Wittig reaction with Ph3P:CHCO2Me, and treatment with NaBH4/CoCl2/MeOH. The in vitro and in vivo profile of these compounds as thromboxane receptor antagonists (TxRAs) and thromboxane synthase inhibitors (TxSls) is described. II and its analogs I [A = CO2H, NHCOCO2H, (CH2)3OH, SCH2CO2H, etc., B = (CH2)2OPy, CH2CH:CHPy, (CH2)2Im, X = F, OMe, N3, CF3, SO2Me; Im = 1-imidazolyl] displayed very potent TxRA activity in human washed platelets (IC50 ≈ 10-7-10-9 M) and dog saphenous vein (pA2 ≈ 9) and also potent TxSl activity (IC50 ≈ 10-9 M). The good bioavailability and the long duration of action of some of these compounds was demonstrated using ex vivo measurement of the TxRA and TxSl activities upon oral administration to guinea pigs. I [A = (CH2)2CO2H, B = (CH2)2OPy, X = Cl; A = SCH2CO2H, B = (CH2)3Py, X = Cl] and II potently inhibited arachidonic acid induced bronchoconstriction in guinea pigs.

Journal of Medicinal Chemistry published new progress about Thromboxane receptor TBXA2R Role: RCT (Reactant), RACT (Reactant or Reagent). 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, Application of C11H16O2.

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

Evindar, Ghotas; Satz, Alexander L.; Bernier, Sylvie G.; Kavarana, Malcolm J.; Doyle, Elisabeth; Lorusso, Jeanine; Taghizadeh, Nazbeh; Halley, Keith; Hutchings, Amy; Kelley, Michael S.; Wright, Albion D.; Saha, Ashis K.; Hannig, Gerhard; Morgan, Barry A.; Westlin, William F. published the artcile< Synthesis and evaluation of arylalkoxy- and biarylalkoxy-phenylamide and phenylimidazoles as potent and selective sphingosine-1-phosphate receptor subtype-1 agonists>, Related Products of 52244-70-9, the main research area is amide arylalkoxyphenyl biarylalkoxyphenyl aryloxyphenyl preparation sphingosine phosphate receptor agonist; imidazole arylalkoxyphenyl biarylalkoxyphenyl preparation sphingosine phosphate receptor agonist.

In a search for potent and selective sphingosine-1-phosphate receptor agonists, the previously reported phenylamide and phenylimidazole scaffolds were utilized to explore extensive side-chain modifications to generate new mol. entities. A number of designed mols. demonstrated good selectivity and excellent in vitro and in vivo potency in both mouse and rat models. Oral administration of the lead mol. I (PPI-4667) demonstrated potent and dose-responsive lymphopenia.

Bioorganic & Medicinal Chemistry Letters published new progress about Amides, alkoxylated Role: PAC (Pharmacological Activity), SPN (Synthetic Preparation), BIOL (Biological Study), PREP (Preparation). 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, Related Products of 52244-70-9.

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

Pingali, Harikishore; Jain, Mukul; Shah, Shailesh; Basu, Sujay; Makadia, Pankaj; Goswami, Amitgiri; Zaware, Pandurang; Patil, Pravin; Godha, Atul; Giri, Suresh; Goel, Ashish; Patel, Megha; Patel, Harilal; Patel, Pankaj published the artcile< Discovery of a highly orally bioavailable c-5-[6-(4-methanesulfonyloxyphenyl)hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid as a potent hypoglycemic and hypolipidemic agent>, Safety of 4-(4-Methoxyphenyl)-1-butanol, the main research area is methanesulfonylhexyldioxanecarboxylic acid preparation hypoglycemic hypolipidemic.

A series of novel 1,3-dioxane-2-carboxylic acid derivatives containing alkyl chain tether and substituted Ph group as a lipophilic tail have been prepared as agonists of PPARα and γ. C-5-[6-(4-Methanesulfonyloxyphenyl)hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid exhibited potent hypoglycemic and lipid lowering activity with high oral bioavailability in animal models.

Bioorganic & Medicinal Chemistry Letters published new progress about Antidiabetic agents. 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, Safety of 4-(4-Methoxyphenyl)-1-butanol.

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