Month: November 2022

Shukla, Rahul published the artcileUnderstanding Reactivity and Assembly of Dichalcogenides: Structural, Electrostatic Potential, and Topological Analyses of 3H-1,2-Benzodithiol-3-one and Selenium Analogs, Category: catalysis-chemistry, the publication is Crystal Growth & Design (2020), 20(12), 7704-7725, database is CAplus.

Mol. assembly and reactivity have been investigated with a series of 3H-1,2-benzodithiol-3-(thi)one derivatives and their (mixed) selenated analogs. Electrostatic potential calculations on monomers show three ¦Ò-hole regions around the dichalcogenide Ch-Ch bond (Ch = S, Se), one side-on and two along the bonding direction. The topol. anal. of the electron d. ¦Ñ(r) points to the weak nature of the Ch-Ch bond. ¦Ò-Hole and lone-pair regions are described in terms of charge depletion (CD) and charge concentration (CC) sites found in the valence shell of chalcogen atoms. Whereas CD and CC sites are characterized by the topol. critical points of L(r) = -?²¦Ñ(r), their electrophilic and nucleophilic powers are measured by the corresponding L/¦Ñ magnitudes. In crystal structures, each chalcogen bond (ChB) involves a ¦Ò-hole region and shows a CD¡¤¡¤¡¤CC interaction that aligns with the internuclear direction of the atoms the CD and CC sites belong. The alignment holds simultaneously for all of the ChB interactions in each crystal structure, indicating that CD¡¤¡¤¡¤CC interactions drive mol. orientation in mol. assembly. Strength of ChB is measured in terms of the topol. properties of ¦Ñ(r), whereas the intensity of the electrophilic¡¤¡¤¡¤nucleophilic interaction is monitored by [(L/¦Ñ)_CC – (L/¦Ñ)_CD]/d_{CC¡¤¡¤¡¤CD}². The ¦Ò-hole in side-on conformation forms the strongest ChB interactions in mol. assembly. Reactivity of mols. against nucleophilic attack has been investigated along each of the three ¦Ò-hole regions by using fluoride as a probe. Adducts formed along the Ch-Ch bonding direction are energetically more favorable than in side-on conformation. At optimized geometries, the F¡¤¡¤¡¤Ch bond (Ch = S, Se) exhibits a partial covalent character, while it weakens concomitantly the Ch¡¤¡¤¡¤Ch bond that also becomes of partial covalent character. In the reactivity process, the significant reorientation of the plane containing the chalcogen lone pairs, along with the opening, shrinking, and splitting of reactivity surfaces ?²¦Ñ(r) = 0, is the signature of the charge redistribution that involves the nucleophilic attack. The mol. assembly and reactivity around Ch-Ch bonds (Ch = S, Se) in dichalcogenide mols. are explored.

Crystal Growth & Design published new progress about 119-80-2. 119-80-2 belongs to catalysis-chemistry, auxiliary class sulfides,Carboxylic acid,Benzene, name is 2,2′-Dithiodibenzoic acid, and the molecular formula is C15H12O6, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Agasti, Soumitra published the artcileTraceless directing group mediated branched selective alkenylation of unbiased arenes, Related Products of catalysis-chemistry, the publication is Chemical Communications (Cambridge, United Kingdom) (2016), 52(82), 12191-12194, database is CAplus and MEDLINE.

Synthesis of branched olefinated products RR¹C=CHR² [R = C₆H₅, 2-H₃CC₆H₄, 2,4,6-(CH₃)₃C₆H₂, etc.; R¹ = 4-ClC₆H₄, naphthalen-1-yl, 2H-1,3-benzodioxol-5-yl, etc.; R² = H, CN, C₆H₅], catalyzed via palladium, facilitated by a C-H activation has been reported. This involves selective insertion of olefins R¹CH=C(R²)C(O)OH and subsequent decarboxylation using a completely unbiased benzene ring as the starting precursor. The significance of the protocol has been further highlighted by exhibition of functionality tolerance along with a late-stage modification of the branched olefinated products leading to the formation of other functionalized mols.

Chemical Communications (Cambridge, United Kingdom) published new progress about 1772-76-5. 1772-76-5 belongs to catalysis-chemistry, auxiliary class Benzenes, name is (E)-3-(3-Nitrophenyl)acrylic acid, and the molecular formula is C9H7NO4, Related Products of catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Wakuluk-Machado, Anne-Marie published the artcilePd(OH)₂/C, a Practical and Efficient Catalyst for the Carboxylation of Benzylic Bromides with Carbon Monoxide, Related Products of catalysis-chemistry, the publication is Organic Process Research & Development (2020), 24(5), 713-723, database is CAplus.

A simple, efficient, cheap, and broadly applicable system for the carboxylation of benzylic bromides with carbon monoxide and water is reported. Upon simple reaction with only 2.5 wt % of Pearlman’s catalyst and 10 mol % of tetrabutylammonium bromide in THF at 110¡ãC for 4 h, a range of benzylic bromides can be smoothly converted to the corresponding arylacetic acids in good to excellent yields after simple extraction and acid-base wash. The reaction was found to be broadly applicable, scalable, and could be successfully extended to the use of ex situ-generated carbon monoxide and applied to the synthesis of the nonsteroidal anti-inflammatory drug diclofenac.

Organic Process Research & Development published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C8H5F3N4, Related Products of catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Zubar, Viktoriia published the artcileChemoselective Hydrogenation of Nitroarenes Using an Air-Stable Base-Metal Catalyst, Quality Control of 104-03-0, the publication is Organic Letters (2021), 23(7), 2742-2747, database is CAplus and MEDLINE.

The reduction of nitroarenes to anilines as well as azobenzenes to hydrazobenzenes using a single base-metal catalyst is reported. The hydrogenation reactions are performed with an air-and moisture-stable manganese catalyst and proceed under relatively mild reaction conditions. The transformation tolerates a broad range of functional groups, affording aniline derivatives and hydrazobenzenes in high yields. Mechanistic studies suggest that the reaction proceeds via a bifunctional activation involving metal-ligand cooperative catalysis.

Organic Letters published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C7H5Cl2NO, Quality Control of 104-03-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Csiba, I. published the artcileOrganic ammonium salts. XV. Preparation and antimicrobial activity of alkylammonium salts of 2-(N,N-dimethylamino)-esters of benzoic, phenylacetic and phenoxyacetic acids, Name: 2-(4-(tert-Butyl)phenoxy)acetic acid, the publication is Cesko-Slovenska Farmacie (1986), 35(2), 61-7, database is CAplus.

The preparation of 22 new organic ammonium unsubstituted salts and p–tert-Bu substituted benzoyl-, phenylacetyl-, and phenoxyacetyloxyethylalkyldimethylammonium bromides and alkyldimethyl-p–tert-butylbenzylammonium bromides is reported, where the linear alkyl chain (R) has 8-16 C atoms. Besides the preparation of the above-mentioned compounds, soft analogs of hard antimicrobially active benzalkonium salts were investigated for the influence of structural changes on the antimicrobial activity, expressed as the min. inhibitory concentration (MIC). The test strains included Staphylococcus?aureus, Escherichia?coli and Candida?albicans. A change in the length of the alkyl chain influenced the activity against E. coli only, the course of the dependence MIC = f(R) was nonlinear, and maximum effectiveness was achieved in decyl and dodecyl derivatives This structural change did not principally influence the activity against S. aureus and C. albicans. The presence of the p–tert-Bu group in the mol. enhanced the activity against S. aureus and C. albicans, the introduction of the ester group into the mol. decreased the activity against E. coli. Interruption of the conjugation of the aromate by the CH₂ and the O-CH₂ bridge decreased the activity against E. coli; the effectiveness against S. aureus and C. albicans was not markedly changed. In comparison with the hard analog Ajatin (benzyldodecyldimethylammonium bromide) the compounds under study were more effective and comparable to Septonex (N-[1-(ethoxycarbonyl)pentadecyl]trimethylammonium bromide) in all 3 microorganisms tested. The proposed products of hydrolytic degradation of the compounds with an ester group show a low (dodecyl-2-hydroxyethyldimethylammonium bromide) or negligible (the pertinent substituted and unsubstituted acids) antimicrobial activity and from this point of view the studied ammonium salts with an ester group in the mol. can be classed into the category of soft antimicrobially effective compounds

Cesko-Slovenska Farmacie published new progress about 1798-04-5. 1798-04-5 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(4-(tert-Butyl)phenoxy)acetic acid, and the molecular formula is C12H16O3, Name: 2-(4-(tert-Butyl)phenoxy)acetic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Abbs Fen Reji, T. F. published the artcileSynthesis and cytotoxicity studies of thiazole analogs of the anticancer marine alkaloid dendrodoine, Category: catalysis-chemistry, the publication is Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (2008), 47B(7), 1145-1150, database is CAplus.

The synthesis and cytotoxicity evaluation of 2-N,N-dimethylamino-5-indol-3-oylthiazole as the first member of a new portfolio of the thiazole analogs of the cytotoxic marine alkaloid dendrodoine (3-N,N-dimethylamino-5-indol-3-oyl-1,2,4-thiadiazole) is described. Exploiting the opportunity arising from the replacement of the thiadiazole ring of dendrodoine by a thiazole ring which allowed further substitution on the five-membered ring, 2-N,N-dimethylamino-5-indol-3-oyl-4-phenylthiazole has also been synthesized. Structural diversity is further extended by synthesizing 5-fur-2-oyl- and 5-coumarin-3-oyl-2-N,N-dimethylaminothiazoles, as well as 5-fur-2-oyl, 5-thiophen-2-oyl, 5-(1-methylbenzimidazol-2-oyl) and 5-benzothiazol-2-oyl derivatives of 2-N,N-dimethylamino-4-phenylthiazoles. Among these new N,N-dimethylaminothiazoles, 2-N,N-dimethylamino-5-indol-3-oyl-4-phenylthiazole shows significant in vitro cytotoxicity against a panel of human cancer cell lines.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Karki, Bhupal S. published the artcileVisible Light-Induced, Metal-Free Denitrative [3+2] Cycloaddition for Trisubstituted Pyrrole Synthesis, Application In Synthesis of 4230-93-7, the publication is Chemistry – An Asian Journal (2019), 14(24), 4793-4797, database is CAplus and MEDLINE.

A metal-free, regioselective synthesis of trisubstituted pyrroles has been developed through a formal [3+2] cycloaddition reaction between 2H-azirines and nitroalkenes under visible light/photoredox-catalyzed conditions. The reaction proceeds through 2H-azaallenyl radical addition on ¦Â-nitrostyrenes in a Michael fashion followed by a base-mediated denitration reaction. The directive group influence of the nitro group controls the regiochem. of the reaction.

Chemistry – An Asian Journal published new progress about 4230-93-7. 4230-93-7 belongs to catalysis-chemistry, auxiliary class Alkenyl,Nitro Compound,Benzene,Ether, name is 1,2-Dimethoxy-4-(2-nitrovinyl)benzene, and the molecular formula is C10H11NO4, Application In Synthesis of 4230-93-7.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

McCann, Malachy published the artcileCopper(II) complexes of benzene-1,2-dioxyacetic acid (bdoaH₂): x-ray crystal structure of [Cu₂(bdoa)(phen)₄]bdoa.13H₂O (phen = 1,10-phenanthroline), Recommanded Product: 2,2-(1,2-Phenylenebis(oxy))diacetic acid, the publication is Polyhedron (1994), 13(2), 221-6, database is CAplus.

Cu(II) acetate reacts with benzene-1,2-dioxyacetic acid (bdoaH₂) in aqueous media to give [Cu(bdoa)(H₂O)₂] (1). 1 Reacts with the N-donor ligands pyridine (py), NH₃ and 1,10-phenanthroline (phen) to give [Cu(bdoa)(NH₃)₂].H₂O (2), [Cu(bdoa)(py)₂].H₂O (3) and [Cu₂(bdoa)(phen)₄]bdoa.13H₂O (4), resp. The x-ray crystal structure of the dicopper(II,II) complex 4 shows each Cu atom at the center of a distorted trigonal bipyramid comprising 4 N atoms from 2 chelating phen ligands and a single O atom from 1 of the carboxylate moieties of the bridging bdoa^2- ligand. The cyclic voltammogram of 4 shows a single reversible wave for the Cu²⁺/Cu⁺ couple at E_1/2 = +115 mV (vs. Ag/AgCl). Spectroscopic and magnetic data for the complexes are given.

Polyhedron published new progress about 5411-14-3. 5411-14-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2,2-(1,2-Phenylenebis(oxy))diacetic acid, and the molecular formula is C10H10O6, Recommanded Product: 2,2-(1,2-Phenylenebis(oxy))diacetic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Battula, Satyanarayana published the artcileAccessing Grignard Reluctant Aldehyde in 2-Oxoaldehyde by Organocuprates to Give [1,2] Addition and Oxidative Coupling Reactions, Quality Control of 613-33-2, the publication is ACS Omega (2022), 7(6), 5069-5078, database is CAplus and MEDLINE.

Novel finding of aldehyde in 2-oxoaldehyde (2OA) is presented as it unprecedentedly disinclines to react with Grignard reagents but reacts with moderate organocuprate reagents in anaerobic condition to give [1,2] addition (¦Á-hydroxyketones) reaction. In the presence of air, the reaction produces an efficient protocol for the synthesis of 1,2-diones through a copper-catalyzed oxidative cross-coupling reaction at room temperature Mechanistic studies indicate that ¦Á-hydroxy ketone perhaps is generated before the hydrolysis step/acid work-up process. The ¦Á-keto group of 2OA causes to exhibit this peculiar aldehyde behavior toward these organometallic reagents.

ACS Omega published new progress about 613-33-2. 613-33-2 belongs to catalysis-chemistry, auxiliary class Benzene, name is 4,4′-Dimethyldiphenyl, and the molecular formula is C14H14, Quality Control of 613-33-2.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Denisov, E. T. published the artcileEnergy of N-H-bond dissociation in phenothiazines and diphenylamines, SDS of cas: 1821-27-8, the publication is Russian Journal of Physical Chemistry A (2014), 88(4), 643-651, database is CAplus.

Energies of the dissociation of N-H-bonds (D_N-H) in 3 phenothiazines, phenoxazine, phenoselenoazine, and 9 diphenylamines (AmH) are determined The D_N-H values are calculated from kinetic data by means of intersecting parabolas. The rate constants of the following types of reaction are used in calculations: RO^.₂ + Am_iH, R^. + Am_iH, Am^._i + PhMe₂CH, and Am^._i + ROOH. As a rule, the results obtained for the reactions of different types are in good agreement with each other and with the results obtained using other methods.

Russian Journal of Physical Chemistry A published new progress about 1821-27-8. 1821-27-8 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Amine,Benzene, name is Bis(4-nitrophenyl)amine, and the molecular formula is C12H9N3O4, SDS of cas: 1821-27-8.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia