Month: November 2022

Yuan, Jingjing published the artcileSubstituent position effect on photochromic properties of aldehyde-functionalized dithienylethenes, SDS of cas: 219537-97-0, the publication is Molecular Crystals and Liquid Crystals (2020), 712(1), 24-30, database is CAplus.

Three sym. dithienylethenes bearing two electron-withdrawing aldehyde groups have been synthesized. And their structures were confirmed by ¹H NMR, ¹³C NMR and HRMS (ESI). Investigation on photochromic properties indicated that they had good photochromic behavior with excellent fatigue resistance upon irradiation with UV or visible light. And it was found that the aldehyde substituent position had a significant effect on their photochromic properties. The DFT calculations further validated those exptl. results for their photochromic behavior. Furthermore, they may be used as versatile building blocks to construct novel photochromic materials.

Molecular Crystals and Liquid Crystals published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C37H30ClIrOP2, SDS of cas: 219537-97-0.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Luo, Qianfu published the artcilePreparation and solvent-dependent photochromism of triptycene-bonded dithienylethenes, HPLC of Formula: 219537-97-0, the publication is Chemistry Letters (2014), 43(10), 1584-1586, database is CAplus.

Two new, stable photochromic dithienylethenes DTE-1 and DTE-2 based on triptycene were conveniently synthesized in one pot. Their spectral properties and photochromism in different solvents were studied extensively. It was revealed that the two DTE-triptycene conjugates undergo special UV-vis absorption and color change in chloride solvents when irradiated by UV light.

Chemistry Letters published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C15H14Cl2S2, HPLC of Formula: 219537-97-0.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Kawakita, Youichi published the artcileDesign and Synthesis of Pyrrolo[3,2-d]pyrimidine Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors: Exploration of Novel Back-Pocket Binders, COA of Formula: C6H3ClFNO2, the publication is Journal of Medicinal Chemistry (2012), 55(8), 3975-3991, database is CAplus and MEDLINE.

To develop novel human epidermal growth factor receptor 2 (HER2)/epidermal growth factor receptor (EGFR) kinase inhibitors, we explored pyrrolo[3,2-d]pyrimidine derivatives bearing bicyclic fused rings designed to fit the back pocket of the HER2/EGFR proteins. Among them, the 1,2-benzisothiazole ring was selected as a suitable back pocket binder because of its potent HER2/EGFR binding and cell growth inhibitory (GI) activities and pseudoirreversibility (PI) profile as well as good bioavailability (BA). Ultimately, we arrived at our preclin. candidate I by optimization of the N-5 side chain to improve CYP inhibition and metabolic stability profiles without a loss of potency (HER2/EGFR inhibitory activity, IC₅₀, 0.98/2.5 nM; and GI activity BT-474 cells, GI₅₀, 2.0 nM). Reflecting the strong in vitro activities, I exhibited potent tumor regressive efficacy against both HER2- and EGFR-overexpressing tumor (4-1ST and CAL27) xenograft models in mice at oral doses of 50 mg/kg and 100 mg/kg.

Journal of Medicinal Chemistry published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, COA of Formula: C6H3ClFNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Jagadeesh, Rajenahally V. published the artcileHighly selective transfer hydrogenation of functionalised nitroarenes using cobalt-based nanocatalysts, SDS of cas: 350-30-1, the publication is Green Chemistry (2015), 17(2), 898-902, database is CAplus.

Anilines are important feedstock for the synthesis of a variety of chems. such as dyes, pigments, pharmaceuticals and agrochems. The chemoselective catalytic reduction of nitro compounds represents the most important and prevalent process for the manufacture of functionalized anilines. Consequently, the development of selective catalysts for the reduction of nitro compounds in the presence of other reducible groups is a major challenge and is crucial. In this regard, herein we show that the cobalt oxide (Co₃O₄-NGr@C) based nano-materials, prepared by the pyrolysis of cobalt-phenanthroline complexes on carbon constitute highly selective catalysts for the transfer hydrogenation of nitroarenes to anilines using formic acid as a hydrogen source. Applying these catalysts, a series of structurally diverse and functionalized nitroarenes have been reduced to anilines with unprecedented chemo-selectivity tolerating halides, olefins, aldehyde, ketone, ester, amide and nitrile functionalities.

Green Chemistry published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, SDS of cas: 350-30-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Santra, Sourav Kumar published the artcilePd^II/CuBr₂ catalysed keto α-C_sp3-H benzoxylation of N,N-dialkylamides directed by o-hydroxy groups, Recommanded Product: 5-Bromo-3-chloro-2-hydroxybenzaldehyde, the publication is Chemical Communications (Cambridge, United Kingdom) (2016), 52(24), 4501-4504, database is CAplus and MEDLINE.

A hydroxy group directed keto α-C_sp3-H benzoyloxylation of amides, including N,N-dialkylamides and cyclic amides, has been accomplished involving ortho-hydroxy substrates possessing either an aldehydic or a keto Me (-COCH₃) group with a Pd(II)/CuBr₂ catalytic combination. The carboxy group obtained via the in situ oxidation of -CHO or -COCH₃ groups of ortho-hydroxy substrates then undergoes a cross-dehydrogenative coupling (CDC) with amides to furnish an α-benzoyloxylation product with concurrent aromatic ring bromination.

Chemical Communications (Cambridge, United Kingdom) published new progress about 19652-33-6. 19652-33-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Bromide,Benzene,Phenol,Aldehyde, name is 5-Bromo-3-chloro-2-hydroxybenzaldehyde, and the molecular formula is C7H4BrClO2, Recommanded Product: 5-Bromo-3-chloro-2-hydroxybenzaldehyde.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Sinatra, Laura published the artcileHydroxamic Acids Immobilized on Resins (HAIRs): Synthesis of Dual-Targeting HDAC Inhibitors and HDAC Degraders (PROTACs), Application In Synthesis of 42074-68-0, the publication is Angewandte Chemie, International Edition (2020), 59(50), 22494-22499, database is CAplus and MEDLINE.

Inhibition of more than one cancer-related pathway by multi-target agents is an emerging approach in modern anticancer drug discovery. Here, based on the well-established synergy between histone deacetylase inhibitors (HDACi) and alkylating agents, we present the discovery of a series of alkylating HDACi using a pharmacophore-linking strategy. For the parallel synthesis of the target compounds, we developed an efficient solid-phase-supported protocol using hydroxamic acids immobilized on resins (HAIRs) as stable and versatile building blocks for the preparation of functionalized HDACi. The most promising compound, 3n (I), was significantly more active in apoptosis induction, activation of caspase 3/7, and formation of DNA damage (γ-H2AX) than the sum of the activities of either active principle alone. Furthermore, to demonstrate the utility of our preloaded resins, the HAIR approach was successfully extended to the synthesis of a proof-of-concept proteolysis-targeting chimera (PROTAC), which efficiently degrades histone deacetylases.

Angewandte Chemie, International Edition published new progress about 42074-68-0. 42074-68-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 2-Chlorotrityl chloride, and the molecular formula is C7H3Cl2F3O2S, Application In Synthesis of 42074-68-0.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Baldwin, Ian published the artcileKinase array design, back to front: Biaryl amides, Quality Control of 6313-54-8, the publication is Bioorganic & Medicinal Chemistry Letters (2008), 18(19), 5285-5289, database is CAplus and MEDLINE.

New kinase inhibitors can be found by synthesis of targeted arrays of compounds designed using system-based knowledge as well as through screening focused or diverse compounds Most array strategies aim to add functionality to a fragment that binds in the purine subpocket of the ATP-site. Here, an alternative pharmacophore-guided array approach is described which set out to discover novel purine subpocket-binding groups. Results are shown for p38α and cFMS kinase, for which multiple distinct series with nanomolar potency were discovered. Some of the compounds showed potency in cell-based assays and good pharmacokinetic properties.

Bioorganic & Medicinal Chemistry Letters published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Quality Control of 6313-54-8.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Santos, Isabel C. M. S. published the artcileCatalytic performance of a boron peroxotungstate complex under homogeneous and heterogeneous conditions, Category: chlorides-buliding-blocks, the publication is Catalysis Today (2013), 87-94, database is CAplus.

The preparation and characterization (FTIR, FT-Raman, ¹¹B MAS NMR, diffuse reflectance, elemental anal.) of a novel boron peroxotungstate (BTBA)₄H[BW₄O₂₄] (BTBA = benzyltributylammonium) is reported, along with its use in the homogeneous oxidation of cis-cyclooctene, geraniol, linalool and (-)-carveol with H₂O₂ as oxidant and acetonitrile as solvent. High catalytic activity was registered for all the substrates studied under homogeneous conditions, namely 99% of conversion of geraniol after 2 h, 93% for linalool after 5 h, 74% for cis-cyclooctene after 6 h, and 100 % for (-)-carveol after 2 h of reaction. Some oxidation studies were carried out with the Venturello complex, [PW₄O₂₄]^3-, in the same conditions. Furthermore, the boron peroxotungstate (BW₄) was immobilized using two different strategies: (a) BW₄ anchored into a functionalized silica (aptesSiO₂) giving BW₄@aptesSiO₂ and (b) BW₄ encapsulated on a metal organic framework, commonly referred as MIL-101, giving BW₄@MIL-101. The catalytic activity of both heterogeneous materials was investigated for geraniol oxidation and the results were compared with those obtained with BW₄ under homogeneous conditions. The encapsulated boron peroxotungstate (BW₄@MIL-101) gave rise to the best results, reaching complete conversion of geraniol after 3 h of reaction and 78% selectivity for 2,3-epoxygeraniol. Addnl., this heterogeneous catalyst could be reused without appreciable loss of catalytic activity, affording similar 2,3-epoxygeraniol selectivity. The heterogeneous catalysts’ stability was also investigated after the oxidation reactions by different characterization techniques.

Catalysis Today published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C19H34ClN, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Kaboudin, B. published the artcileSurface-mediated solid phase reactions: microwave assisted Arbuzov rearrangement on the solid surface, HPLC of Formula: 866-23-9, the publication is Synthetic Communications (2001), 31(18), 2773-2776, database is CAplus.

Microwave assisted Arbuzov rearrangement under solvent-free condition is an efficient method for the preparation of dialkyl alkylphosphonates of alkyl halides. This method is an easy, rapid, and high-yielding reactions for the Arbuzov rearrangement. E.g., PhCH₂Cl reacts with P(OEt)₃ in the presence of Al₂O₃ under solvent-free conditions using microwave irradiation to give 85% yield of PhCH₂P(O)(OEt)₂.

Synthetic Communications published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, HPLC of Formula: 866-23-9.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Lukin, Alexey published the artcileExploration of the nitrogen heterocyclic periphery around the core of the advanced FFA1 agonist fasiglifam (TAK-875), Name: 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is Archiv der Pharmazie (Weinheim, Germany) (2021), 354(4), 2000275, database is CAplus and MEDLINE.

Three types of heterocyclic moieties-piperidines fused to a heteroaromatic moiety-were explored as potential periphery motifs for the pharmacophoric core of fasiglifam (TAK-875), with fasiglifam being the most advanced agonist of free fatty acid receptor 1, a promising target for therapeutic intervention in type 2 diabetes. Several observed structure-activity relationship trends were corroborated by in silico docking results. Balanced selection based on potency and Caco-2 permeability advanced six compounds to cellular efficacy tests (glucose-stimulated insulin secretion in rat insulinoma INS1E cells). This led to the nomination of compound I·HCl (LK1408, 3-[4-({4-[(3-{[(2-fluorobenzyl)oxy]methyl}-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methyl]benzyl}oxy)phenyl]propanoic acid hydrochloride) as the lead for further development.

Archiv der Pharmazie (Weinheim, Germany) published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Name: 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics