Tag: M.W=150-200

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

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

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

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

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

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

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

Dovlatyan, V. V. published the artcileSome conversions of thiazoline carboxylic acid esters, HPLC of Formula: 622-86-6, the main research area is methylthioxothiazoline hydrazone synthesis; thiazoline carboxylate solvolysis hydrazinolysis.

The authors have carried out solvolysis of the previously described Et esters of 3-methyl(aryl)-4-methyl-2-thioxothiazoline-5-carboxylic acids, leading to the corresponding acids without breaking down the heterocycle. They synthesized a series of novel esters from the latter by treatment with di-Me sulfate or reactive halides. Of these, only in the case of the Et ester of 3,4-dimethyl-2-thioxothiazoline-5-carboxylic acid did they obtain the hydrazinolysis product (the hydrazide), from which they synthesized novel hydrazones by treatment with aldehydes and ketones.

Chemistry of Heterocyclic Compounds published new progress about Hydrazinolysis. 622-86-6 belongs to class ethers-buliding-blocks, name is (2-Chloroethoxy)benzene, and the molecular formula is C8H9ClO, HPLC of Formula: 622-86-6.

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

Erkin, A. V. published the artcileAryl ethers of 4-[(2-hydroxyethyl)sulfanyl]pyrimidine derivatives: Pathways of synthesis and fungicidal activity of their salt forms, Safety of (2-Chloroethoxy)benzene, the main research area is hydroxyethylsulfanyl pyrimidine aryl ether hydrochloride salt preparation fungicidal activity.

2-Amino-4-[(2-aryloxyethyl)sulfanyl]-6-methylpyrimidines were obtained by S-alkylation of 2-amino-6-methylpyrimidin-4(3H)-thione with 2-aryloxyethyl chlorides. Since 2-amino-4-[(2-chloroethyl)sulfanyl]-6-methylpyrimidine is prone to in situ intramol. cyclization it cannot be used in Claisen reaction. The bromination of the target compounds provided 5-bromo derivatives; some of their hydrochlorides exhibited fungicidal activity.

Russian Journal of General Chemistry published new progress about Fungicides. 622-86-6 belongs to class ethers-buliding-blocks, name is (2-Chloroethoxy)benzene, and the molecular formula is C8H9ClO, Safety of (2-Chloroethoxy)benzene.

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

Yang, Minjian published the artcileDesign, synthesis, and biological evaluation of pyrrolopyrimidine derivatives as novel Bruton’s tyrosine kinase (BTK) inhibitors, Safety of 3-Phenoxyazetidine hydrochloride, the main research area is pyrrolopyrimidine preparation Brutons tyrosine kinase mol docking antitumor activity; B-Cell lymphomas; BTK inhibitor; Kinase selectivity.

Here, four key regions where inhibitors bind to BTK were identified by analyzing the existing crystal structures of BTK complexes. Then, a scaffold-based mol. design work flow was established by integrating fragment-growing method, deep learning-based framework XGraphBoost and mol. docking, leading to four compounds that showed potency against BTK. Optimization of compounds I and II led to the discovery of the potent BTK inhibitor compound III by using in vitro potency and pharmacokinetic (PK) studies to prioritize the compounds Compound III exhibited great BTK inhibition activity (IC50 = 0.7 nM) along with high oral absorption. Moreover, compound III demonstrated excellent kinase selectivity, especially over EGFR kinase, and low toxicity. In a TMD8 xenograft model, compound III significantly inhibited tumor growth (TGI = 104%) at a dosage of 50 mg/kg, indicating its potential as a novel therapeutic option for B-cell lymphomas.

European Journal of Medicinal Chemistry published new progress about Anilines Role: RCT (Reactant), RACT (Reactant or Reagent). 301335-39-7 belongs to class ethers-buliding-blocks, name is 3-Phenoxyazetidine hydrochloride, and the molecular formula is C9H12ClNO, Safety of 3-Phenoxyazetidine hydrochloride.

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