Month: November 2022

Yuan, Shuqing published the artcileChromium-Catalyzed Reductive Cleavage of Unactivated Aromatic and Benzylic C-O Bonds, Application In Synthesis of 127972-00-3, the main research area is pyridinylphenyl ether chromium catalyst reductive deoxygenation; methoxymethylnaphthalene chromium catalyst reductive deoxygenation.

Reductive cleavage of aromatic and benzylic C-O bonds by chromium catalysis was reported. This deoxygenative reaction was promoted by low-cost CrCl2 precatalyst combined with poly(Me hydrogen siloxane) as the mild reducing agent, providing a strategy in forming reduced motifs by cleavage of unactivated C-O bonds. A range of functional groups such as bromide, chloride, fluoride, hydroxyl, amino and alkoxycarbonyl was retained in the reduction

Synthesis published new progress about Arylboronic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, Application In Synthesis of 127972-00-3.

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

Hufsky, Franziska published the artcileDe novo analysis of electron impact mass spectra using fragmentation trees, Related Products of ethers-buliding-blocks, the main research area is electron impact mass spectrum fragmentation tree metabolite.

The automated fragmentation anal. of high resolution EI mass spectra based on a fragmentation tree algorithm is introduced. Fragmentation trees are constructed from EI spectra by automated signal extraction and evaluation. These trees explain relevant fragmentation reactions and assign mol. formulas to fragments. The method enables the identification of the mol. ion and the mol. formula of a metabolite if the mol. ion is present in the spectrum. These identifications are independent of existing library knowledge and, thus, support assignment and structural elucidation of unknown compounds The method works even if the mol. ion is of very low abundance or hidden under contaminants with higher masses. The authors apply the algorithm to a selection of 50 derivatized and underivatized metabolites and demonstrate that in 78% of cases the mol. ion can be correctly assigned. The automatically constructed fragmentation trees correspond very well to published mechanisms and allow the assignment of specific relevant fragments and fragmentation pathways even in the most complex EI-spectra in the authors’ dataset. This method will be very helpful in the automated anal. of metabolites that are not included in common libraries and it thus has the potential to support the explorative character of metabolomics studies.

Analytica Chimica Acta published new progress about Aldehydes Role: ANT (Analyte), BSU (Biological Study, Unclassified), ANST (Analytical Study), BIOL (Biological Study). 622-86-6 belongs to class ethers-buliding-blocks, name is (2-Chloroethoxy)benzene, and the molecular formula is C8H9ClO, Related Products of ethers-buliding-blocks.

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

Eastman, Brian published the artcileExpedited SAR study of an mGluR5 antagonists: generation of a focused library using a solution-phase Suzuki coupling methodology, SDS of cas: 127972-00-3, the main research area is phenyltetrazolyl pyridine preparation mGluR5 antagonist structure.

The SAR of the lead compounds I (R = H) and I (R = F) was rapidly explored. Utilizing a parallel solution-phase Suzuki coupling approach, in tandem with strong cation exchange resin (SCX) purification afforded the desired focused library. The library was evaluated in vitro, a ninefold potency increase was achieved and the preference for ortho substitution of moderate steric bulk of the fourth, Ph ring was identified. In addition, dimethylisoxazole, as a heterocyclic replacement for the phenylic ring of the lead compound, was also identified by this approach.

Bioorganic & Medicinal Chemistry Letters published new progress about Structure-activity relationship. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, SDS of cas: 127972-00-3.

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

Cai, Shou-Le published the artcileNHC Ligand-Enabled, Palladium-Catalyzed Non-Directed C(sp3)-H Carbonylation To Access Indanone Cores, Recommanded Product: 4-Hydroxy-3-tert-butylanisole, the main research area is indanone preparation NHC ligand palladium catalyst; aryl triflate bromide carbon monoxide carbonylation.

A palladium-catalyzed C(sp3)-H carbonylation of alkylated aryl triflates or bromides I (R1 = 6-C6H5, 6-CH3CO, 6-CO2CH3, etc.; R2 = CH3, CO2CH3, CH2CH3, etc.; X = Br, OTf, ONf) under 1 atm of CO has been developed, in which no directing group or oxidant was required. The essence of this reaction is the combination of appropriate NHC ligands with palladium to facilitate the formation of the five-membered cyclopalladium intermediate. Mechanism studies suggest that the insertion of carbon monoxide into two five-membered cyclopalladium species generated via palladium migration might be the crucial step for this transformation. This method offers an efficient solution for expedient construction of indanone cores II (R1 = 6-C6H5, 6-CH3CO, 6-CO2CH3, etc.; R2 = CH3, CO2CH3, CH2CH3, etc.) which are valuable synthons and pharmacophores ubiquitously found in numerous natural products.

ACS Catalysis published new progress about Aryl triflates Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (alkyl). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Recommanded Product: 4-Hydroxy-3-tert-butylanisole.

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

Breno, Kerry L. published the artcileOrganometallic Chemistry in Aqueous Solution. Hydration of Nitriles to Amides Catalyzed by a Water-Soluble Molybdocene, (MeCp)2Mo(OH)(H2O)+, Category: ethers-buliding-blocks, the main research area is molybdocene catalyzed hydration nitrile aqueous solution kinetics; amide preparation.

[Cp’2Mo(μ-OH)2MoCp’2]2+ (1) (Cp’ = η5-CH3C5H4) is a precatalyst for the hydration of nitriles in aqueous solution under mild conditions (∼80°). Among the nitriles hydrated were acetonitrile, isobutyronitrile, benzonitrile, 3-hydroxypropionitrile, 3-bromopropioamide, 4-cyanopyridine, succinonitrile, Me cyanoacetate, 2-methoxyacetonitrile, and acrylonitrile. Except in the case of 2-methoxyacetonitrile, hydrolysis of the resulting amide products did not occur. Hydration of the C:C double bond did not occur in acrylonitrile, but hydrolysis of ester and ether linkages did occur in nitriles containing those functional groups. The apparent rate constants and turnover frequencies of the catalytic reactions were determined using an iterative kinetics-fitting program. The rates and turnover frequencies are comparable to those reported for many homogeneous nitrile hydration catalysts described in the literature. In aqueous solution, 1 is in equilibrium with [Cp’2Mo(OH)(H2O)]+ (2), and this monomer is proposed to be the active hydration catalyst. The hydration is proposed to occur by an intramol. attack of a hydroxide ligand on a coordinated nitrile. The hydration reaction is irreversibly inhibited by product and reversibly inhibited by substrate (nitrile).

Organometallics published new progress about Hydration catalysts. 16332-06-2 belongs to class ethers-buliding-blocks, name is 2-Methoxyacetamide, and the molecular formula is C3H7NO2, Category: ethers-buliding-blocks.

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

Konishi, Hiroaki published the artcileCharge and Discharge Reactions of a Lead Fluoride Electrode in a Liquid-Based Electrolyte for Fluoride Shuttle Batteries:-The Role of Triphenylborane as an Anion Acceptor-, Synthetic Route of 143-24-8, the main research area is lead fluoride liquid triphenylborane anion charge discharge.

Lead fluoride (PbF2) is a promising electrode material for fluoride shuttle batteries (FSBs) owing to its high theor. capacity (219 mAh g-1). In this study, the discharge and charge capacities of a PbF2 electrode were measured using a bis[2-(2-methoxyethoxy)ethyl] ether containing cesium fluoride and triphenylborane as an electrolyte. A high specific capacity was maintained during both the discharge and charge processes in the first cycle, but the capacity decreased from the first charge process to the following discharge process. To clarify the electrochem. reaction mechanism, the dissolution and change in the electronic state of Pb at the PbF2 electrode during the discharge and charge processes were evaluated via at. absorption spectrometry (AAS) and XPS. The results obtained from AAS and XPS indicated that Pb was formed during the discharge process. Conversely, the formation of PbF2 and dissolution of Pb coexisted within the wide range of charge process. The PbF2 could react in the following cycle, but the dissolved Pb was unable to contribute to the following discharge/charge reaction. Therefore, after the initial charge process, the capacity decreased.

ChemistrySelect published new progress about Enthalpy Role: PRP (Properties), TEM (Technical or Engineered Material Use), USES (Uses). 143-24-8 belongs to class ethers-buliding-blocks, name is 2,5,8,11,14-Pentaoxapentadecane, and the molecular formula is C10H22O5, Synthetic Route of 143-24-8.

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

Wu, Yi published the artcileApplication of GC × GC coupled with TOF-MS for the trace analysis of chemical components and exploration the characteristic aroma profile of essential oils obtained from two tree peony species (Paeonia rockii and Paeonia ostii), SDS of cas: 23783-42-8, the main research area is Paeonia rockii ostii essential oil aroma GC TOF MS.

Tree peony essential oil (EO) is a critical material for flavor and function in the industrial fields of perfume, medicine and food. To conduct an overall anal. of different varieties of tree peony EOs, the composition, aroma characteristics and antioxidant activity of ZiBan and FengDan EOs were analyzed by two-dimensional gas chromatog. and time-of-flight mass spectrometry (GC × GC-TOF/MS) and the odor activity value (OAV). A total of 151 and 123 compounds were identified in ZiBan and FengDan EOs, resp., in which ZiBan EO was characterized by alc., alkane and acid, and FengDan EO was represented by aldehyde, alc. and terpene. Nevertheless, there were great differences in the content of coexisting substances in the two kinds of EOs. The aroma result indicated that the characteristic aroma and intensity of the two kinds of tree peony EOs were completely different; the aroma of ZiBan EO was mainly composed of fruity and floral aromas, whereas that of FengDan EO primarily consisted of fruity, fatty, grass and floral odors. The antioxidant activities of ZiBan EO was better than that of FengDan EO. The total antioxidant activities of ZiBan and FengDan EOs were found to be 0.020 mg Vc/mL EO and 0.003 mg Vc/mL EO, while the DPPH radical scavenging abilities of ZiBan and FengDan EOs were 24.77% and 21.60%, resp.

European Food Research and Technology published new progress about Alcohols Role: ANT (Analyte), COS (Cosmetic Use), FFD (Food or Feed Use), ANST (Analytical Study), BIOL (Biological Study), USES (Uses). 23783-42-8 belongs to class ethers-buliding-blocks, name is 2,5,8,11-Tetraoxatridecan-13-ol, and the molecular formula is C9H20O5, SDS of cas: 23783-42-8.

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

Hardcastle, Ian R. published the artcile4′-Substituted analogs of idoxifene: antiestrogens and calmodulin antagonists, Recommanded Product: (2-Chloroethoxy)benzene, the main research area is idoxifene analog preparation antiestrogen; calmodulin antagonist idoxifene analog.

4′-Substituted analogs, e.g. I, of the antiestrogen idoxifene have been prepared All the compounds were assayed for antagonism of calmodulin dependent c-AMP phosphodiesterase and for binding to rat uterine estrogen receptor. The 4′-amino compound I was the most potent antiestrogen (RBA = 47) while retaining a similar calmodulin antagonism to idoxifene.

Bioorganic & Medicinal Chemistry Letters published new progress about Calmodulins Role: BAC (Biological Activity or Effector, Except Adverse), BSU (Biological Study, Unclassified), BIOL (Biological Study). 622-86-6 belongs to class ethers-buliding-blocks, name is (2-Chloroethoxy)benzene, and the molecular formula is C8H9ClO, Recommanded Product: (2-Chloroethoxy)benzene.

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

Bose, Shubhankar Kumar published the artcileHighly efficient synthesis of alkylboronate esters via Cu(II)-catalyzed borylation of unactivated alkyl bromides and chlorides in air, Application of (2-Chloroethoxy)benzene, the main research area is boronate preparation alkyl halide borylation copper catalyst; alkylboronic ester preparation copper catalyzed boration alkyl bromide chloride.

A copper(II)-catalyzed borylation of alkyl halides with bis(pinacolato)diboron (B2pin2) has been developed, which can be carried out in air, providing a wide range of primary, secondary, and some tertiary alkylboronates in high yields. A variety of functional groups are tolerated and the protocol is also applicable to unactivated alkyl chlorides (including 1,1- and 1,2-dichlorides). Preliminary mechanistic investigations show that this borylation reaction involves one-electron processes.

ACS Catalysis published new progress about Borylation. 622-86-6 belongs to class ethers-buliding-blocks, name is (2-Chloroethoxy)benzene, and the molecular formula is C8H9ClO, Application of (2-Chloroethoxy)benzene.

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

He, Zhen published the artcileSulfoxide-mediated oxidative cross-coupling of phenols, Quality Control of 121-00-6, the main research area is phenol nucleophile sulfoxide mediator oxidative cross coupling regioselective; arylphenol preparation; benzofuran preparation; hydroxy teraryl preparation.

A metal-free, oxidative coupling of phenols with various nucleophiles, including arenes, 1,3-diketones and other phenols was reported. Cross-coupling was mediated by a sulfoxide which inverts the reactivity of the phenol partner. Crucially, the process showed high selectivity for cross-vs. homo-coupling and allowed efficient access to a variety of aromatic scaffolds including biaryls, benzofurans and through an iterative procedure aromatic oligomers.

Chemical Science published new progress about Benzofurans Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Quality Control of 121-00-6.

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