Tag: 200-300

Yang, Yi; Muhich, Christopher L.; Green, Matthew D. published an article in 2020, the title of the article was Kinetics and mechanisms of polycondensation reactions between aryl halides and bisphenol A.Synthetic Route of 80-07-9 And the article contains the following content:

Aryl chlorides (ArCl) or aryl fluorides (ArF) were used in polycondensation reactions to form poly(arylene ether sulfone)s (PAES). Interestingly, the kinetics of the ArF reaction fit a third-order rate law, which is attributed to the activation of the carbon-fluorine bond by two potassium cations (at least one bound to phenolate), which form a three-body complex. The ArCl monomer follows a second-order rate law, where a two-body complex forms at the initial state of the aromatic nucleophilic substitution (SNAr) pathway. These metal cation-activated complexes act as intermediates during the attack by the nucleophile. This finding was reproduced with either the potassium or the sodium counterion (introduced via potassium carbonate or sodium carbonate). Through a combination of exptl. anal. of reaction kinetics and computational calculations with d. functional theory (DFT) methods, the present work extends the fundamental understanding of polycondensation mechanisms for two aryl halides and highlights the importance of the CX-metal interaction(s) in the SNAr reaction, which is translational to other ion-activated substitution reactions. The experimental process involved the reaction of 4,4′-Sulfonylbis(chlorobenzene)(cas: 80-07-9).Synthetic Route of 80-07-9

The Article related to bisphenol a aryl halide polycondensation kinetics mechanism, Chemistry of Synthetic High Polymers: Polymerization Kinetics, Mechanisms, Thermodynamics, Catalysis, Catalysts and other aspects.Synthetic Route of 80-07-9

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On September 1, 2016, Shyam Sundar, M.; Sahoo, Sibaprasad; Bedekar, Ashutosh V. published an article.Formula: C11H19ClO2 The title of the article was Synthesis and study of the structural properties of oxa[5]helicene derivatives. And the article contained the following:

The preparation of the (-)-menthyl carbonate of 2-hydroxy-7-oxa[5]helicene and its structural characterization is reported. Single crystal X-ray diffraction anal. established the relatively flat structure of oxa[5]helicene unit thus indicating the absence of stable helical isomers. The unit cell of the crystal includes one mol. in the P-conformation and another in the M-isomer. However, its nitro derivative, 1-nitro-2-hydroxy-7-oxa[5]helicene, provides sufficient steric crowding to observe two helical isomers at low temperature, as confirmed by 1H NMR at -20 °C. The experimental process involved the reaction of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate(cas: 14602-86-9).Formula: C11H19ClO2

The Article related to oxahelicene menthyl carbonate preparation structure conformation, Terpenes and Terpenoids: Monoterpenes (C10), Including Cannabinoids, Chrysanthemic Acids, and Iridoid Aglycons and other aspects.Formula: C11H19ClO2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On January 6, 2012, Jierry, Loic; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stephan published an article.Application In Synthesis of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate The title of the article was Efficient Dibenzo[c]acridine Helicene-like Synthesis and Resolution: Scaleup, Structural Control, and High Chiroptical Properties. And the article contained the following:

Herein, an expeditious synthesis of dibenzo[c]acridine helicene-like compounds on a large scale in pure enantiomeric form is described. This flexible synthesis allows for variation at several positions on the skeleton. Geometrical parameters related to these compounds have been obtained from monocrystal X-ray structure resolution Addnl., chiroptical parameters have been recorded, highlighting the versatility of this family showing for example optical rotation at 589 nm varying between 135 and 150 deg g-1cm2. The experimental process involved the reaction of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate(cas: 14602-86-9).Application In Synthesis of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate

The Article related to dibenzoacridine helicene scaleup synthesis crystal structure chiroptical property, Heterocyclic Compounds (One Hetero Atom): Other Areno- and Diarenopyridines (Acridines, Quinolizines, etc.) and other aspects.Application In Synthesis of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On February 17, 2017, Kondo, Hikaru; Kochi, Takuya; Kakiuchi, Fumitoshi published an article.Application of 98946-18-0 The title of the article was Selective Monoarylation of Aromatic Ketones and Esters via Cleavage of Aromatic Carbon-Heteroatom Bonds by Trialkylphosphine Ruthenium Catalysts. And the article contained the following:

We report here the ruthenium-catalyzed selective monoarylation of aromatic ketones bearing two ortho carbon-heteroatom (O or N) bonds. Under the newly developed catalyst system consisting of RuHCl(CO)(PiPr3)2, CsF, and styrene, the C-O arylation of 2′,6′-dimethoxyacetophenone with a phenylboronate gave the C-O monoarylation product selectively. The selective C-O monoarylation was applicable to a variety of arylboronates and aromatic ketones and proceeds with high regio- and chemoselectivities. A formal synthesis of altertenuol was also achieved using the C-O monoarylation of an aromatic ester as a key step. The experimental process involved the reaction of tert-Butyl trichloroacetimidate(cas: 98946-18-0).Application of 98946-18-0

The Article related to regioselective monoarylation aromatic ketone ester trialkylphosphine ruthenium catalyst, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Ketones and Derivatives, Including Quinones and Sulfur Analogs and other aspects.Application of 98946-18-0

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Kumar, Ramar Mohan; Ruckmani, Kandasamy published an article in 2019, the title of the article was Investigations on physiochemical and third-order nonlinear optical studies on quinolinium based organic crystal.Reference of 2-Chloro-4-nitrobenzoic acid And the article contains the following content:

Newly identified organic single crystals of 8-hydroyquinolinium 2-chloro 4-nitrobenzoate (HQ2ClNB) were grown by the slow evaporation solution growth technique (SEST) using methanol as a solvent. It crystallizes in monoclinic crystal system with a space group of P21/c. Crystalline nature and phases were confirmed by powder X-ray diffraction (XRD). The existence of various functional groups in the mol. was identified using the Fourier transform IR (FTIR) and NMR (NMR) technique. Optical transmission window and lower cut-off wavelength of the HQ2ClNB crystal have been evaluated by UV-Visible-NIR studies. Dielec. and photoconductivity studies were recorded. Third-order nonlinear optical susceptibility (χ(3)) of the crystals were evaluated by Z-scan studies. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Reference of 2-Chloro-4-nitrobenzoic acid

The Article related to hydroyquinolinium chloronitrobenzoate photoconductivity crystallinity ftir spectrum, Optical, Electron, and Mass Spectroscopy and Other Related Properties: Lasers and Masers, Nonlinear Optical Properties and other aspects.Reference of 2-Chloro-4-nitrobenzoic acid

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Blaziak, Kacper; Sendys, Przemyslaw; Danikiewicz, Witold published an article in 2016, the title of the article was Experimental versus Calculated Proton Affinities for Aromatic Carboxylic Acid Anions and Related Phenide Ions.Product Details of 99-60-5 And the article contains the following content:

Herein, we present the comparison of a large set of exptl. measured proton affinity (PA) values for 65 aromatic carboxylate anions with the values calculated by using selected popular DFT (B3LYP, PBE0, and M05-2X) and composite [G3(MP2), G4(MP2)] quantum chem. methods. The root-mean-square error (RMSE) values for the chosen methods are RMSEPBE0=1.7, RMSEB3LYP=4.6, RMSEM05-2X=6.6, RMSEG3MP2=6.3, RMSEG4MP2=4.5 kJ mol-1. In the second part of the study, 82 PA values for substituted phenide ions and a few heteroaromatic anions were calculated Again, very good agreement between the calculated and exptl. values has been observed: RMSEPBE0=1.9, RMSEB3LYP=4.5, RMSEM05-2X=6.3, RMSEG3MP2=4.9, RMSEG4MP2=5.5 kJ mol-1. Our results show that, for medium-sized carboxylate anions, all tested methods give reliable results and, surprisingly, much more computationally demanding composite methods do not perform significantly better than the time-efficient DFT methods. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Product Details of 99-60-5

The Article related to aromatic carboxylate phenide proton affinity pbe1pbe m05 b3lyp mp2, carboxylate anions, density functional calculations, phenide ions, proton affinity, quantum chemistry, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Product Details of 99-60-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On January 4, 2017, Gamidi, Rama Krishna; Rasmuson, Ake. C. published an article.Category: chlorides-buliding-blocks The title of the article was Estimation of Melting Temperature of Molecular Cocrystals Using Artificial Neural Network Model. And the article contained the following:

A Quant. Structure-activity Relationship (QSAR) model has been constructed by Artificial Neural Networks (ANNs) for estimation of melting temperature (Tm) of mol. cocrystals (CCs). Based on a literature anal. using Scifinder and Cambridge Structural Database (CSD) softwares, a database has been created over CCs for four Active Pharmaceutical Ingredients (APIs), namely, i.e. caffeine (CAF), theophylline (THP), nicotinamide (NA) and isonicotinamide (INA). In total, of 61 CCs were included: 14-CAF, 9-THP, 29-INA and 9-NA. A good correlation was obtained with ANNs to quantify the Tm of the CCs with respect to various coformers (COF). The training process was completed with an average relative error of 2.38%, whereas the relative error for the validation set was 2.89%. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Category: chlorides-buliding-blocks

The Article related to estimation melting temperature mol cocrystal artificial neural network model, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Category: chlorides-buliding-blocks

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On August 25, 2017, Bender, Matthias; Turnbull, Ben W. H.; Ambler, Brett R.; Krische, Michael J. published an article.Electric Literature of 14602-86-9 The title of the article was Ruthenium-catalyzed insertion of adjacent diol carbon atoms into C-C bonds: Entry to type II polyketides. And the article contained the following:

Current catalytic processes involving carbon-carbon bond activation rely on π-unsaturated coupling partners. Exploiting the concept of transfer hydrogenative coupling, we report a ruthenium(0)-catalyzed cycloaddition of benzocyclobutenones that functionalizes two adjacent saturated diol carbon-hydrogen bonds. These regio- and diastereoselective processes enable convergent construction of type II polyketide substructures. The experimental process involved the reaction of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate(cas: 14602-86-9).Electric Literature of 14602-86-9

The Article related to benzocyclobutenone cycloaddition ruthenium catalyzed, polyketide preparation cycloaddition ruthenium catalyzed, Biomolecules and Their Synthetic Analogs: Others, Including Purines, Pyrimidine Nucleic Acid Bases, Flavins, Lignans and other aspects.Electric Literature of 14602-86-9

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On August 31, 2016, Jammula, Subba Rao; Anna, Venkateswara Rao; Tatina, Sudhakar; Krishna, Thalishetti; Sreenivas, B. Yogi; Pal, Manojit published an article.Safety of 2-Chloro-4-nitrobenzoic acid The title of the article was A new strategy for accessing (S)-1-(furan-2-yl)pent-4-en-1-ol: a key precursor of Ipomoeassin family of compounds and C1-C15 domain of halichondrins. And the article contained the following:

A highly efficient synthesis of (S)-1-(furan-2-yl)pent-4-en-1-ol, known to be an initial precursor of Ipomoeassin family of compounds and C1-C15 domain of halichondrins has been achieved via a sequence involving the use of Weinreb amide formation followed by Weinreb ketone synthesis and finally CBS (Corey-Bakshi-Shibata) reduction Detailed study on improvement of each step is described. The title compound was converted to a potential cytotoxic agent for further pharmacol. studies. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Safety of 2-Chloro-4-nitrobenzoic acid

The Article related to furanyl pentenol preparation weinreb ketone synthesis cbs reduction, Biomolecules and Their Synthetic Analogs: Others, Including Purines, Pyrimidine Nucleic Acid Bases, Flavins, Lignans and other aspects.Safety of 2-Chloro-4-nitrobenzoic acid

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Qureshi, Zafar; Weinstabl, Harald; Suhartono, Marcel; Lui, Hongqiang; Thesmar, Pierre; Lautens, Mark published an article in 2014, the title of the article was Application of the Palladium-Catalyzed Norbornene-Assisted Catellani Reaction Towards the Total Synthesis of (+)-Linoxepin and Isolinoxepin.Reference of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate And the article contains the following content:

The authors’ ongoing effort towards the development of highly selective transition-metal-catalyzed carbon hydrogeb bond (C-H bond) activation processes has led to the expansion of a Catellani reaction. In a Pd0/PdII/PdIV-catalyzed tandem reaction (domino reaction), an aryl iodide, alkyl iodide and tert-Bu acrylate were combined to synthesize a carbon framework of the novel lignan (+)-linoxepin. The enantioselective synthesis highlights the work accomplished in the authors’ group and provides an excellent procedure for a reliable and scalable synthesis of architecturally complex scaffolds. This report outlines the synthetic approaches towards this interesting class of biol. active mols. After a key Catellanireaction/Heck reaction, the synthesis features a Leimeux-Johnson oxidation and a titanium tetrachloride mediated aldol condensation. Finally, a tuneable Mizoroki-Heck reaction was performed to furnish not only the natural product (+)-linoxepin but also its isoform, which we have named isolinoxepin. The synthesis of the target compounds was achieved using 8-[(5-bromo-1,3-benzodioxol-4-yl)methoxy]-3a,4-dihydro-7-(methoxy)naphtho[2,3-c]furan-1(3H)-one as a key intermediate. The title compounds thus formed included (9aR)-9a,10-dihydro-6-methoxy-4H-1,3-benzodioxolo[4,5-c]isobenzofuro[4,5,6-ef][1]benzoxepin-12(9H)-one [(+)-linoxepin] and 10,12b-dihydro-6-methoxy-4H-1,3-benzodioxolo[4,5-c]isobenzofuro[4,5,6-ef][1]benzoxepin-12(9H)-one [racemic isolinoxepin]. The experimental process involved the reaction of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate(cas: 14602-86-9).Reference of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate

The Article related to linoxepin isolinoxepin lignan preparation total synthesis, Biomolecules and Their Synthetic Analogs: Others, Including Purines, Pyrimidine Nucleic Acid Bases, Flavins, Lignans and other aspects.Reference of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics