Day: November 25, 2022

Sun, Yin-Xia published the artcileSynthesis and crystal structure of a new 2D-supramolecular complex: [Cd(C₁₇H₁₃N₂O₂)₂(C₂H₆O)₂], Related Products of pyrazoles-derivatives, the publication is Asian Journal of Chemistry (2013), 25(13), 7115-7117, database is CAplus.

The mol. of the prepared Cd(II) complex bis(1-phenyl-3-methyl-4-benzoyl-5-pyrazolone)bis(ethanol)cadmium(II), [Cd(C₁₇H₁₃N₂O₂)₂(C₂H₆O)₂], is rigorously centrosym. [symmetry codes: -x, -y, -z]. The Cd(II) center exhibits a slightly distorted octahedral geometry with two ligand units forming the basal O₂O₂ coordination plane and two other O atoms from two coordinated EtOH mols. in the axial position. In the crystal structure, intermol. O-H···N H bonds and C-H···π stacking interactions link the complex mols. into an infinite 2-dimensional supramol. structure.

Asian Journal of Chemistry published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C7H13NO2, Related Products of pyrazoles-derivatives.

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

Bao, Jianming published the artcileTetrahydroindolizinone NK₁ antagonists, COA of Formula: C3H5BN2O2, the publication is Bioorganic & Medicinal Chemistry Letters (2010), 20(7), 2354-2358, database is CAplus and MEDLINE.

A new class of potent NK₁ receptor antagonists with a tetrahydroindolizinone core has been identified. This series of compounds demonstrated improved functional activities as compared to previously identified 5,5-fused pyrrolidine lead structures. SAR at the 7-position of the tetrahydroindolizinone core is discussed in detail. A number of compounds displayed high NK₁ receptor occupancy at both 1 h and 24 h in a gerbil foot tapping model. Compound 40 has high NK₁ binding affinity, good selectivity for other NK receptors and promising in vivo properties. It also has clean P₄₅₀ inhibition and hPXR induction profiles.

Bioorganic & Medicinal Chemistry Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C3H5BN2O2, COA of Formula: C3H5BN2O2.

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

Sutherland, Hamish S. published the artcileSynthesis and structure-activity relationships for a new class of tetrahydronaphthalene amide inhibitors of Mycobacterium tuberculosis, Formula: C3H5BN2O2, the publication is European Journal of Medicinal Chemistry (2022), 114059, database is CAplus and MEDLINE.

Drug resistant tuberculsosis (TB) is global health crisis that demands novel treatment strategies. Bacterial ATP synthase inhibitors such as bedaquiline and next-generation analogs (such as TBAJ-876) have shown promising efficacy in patient populations and preclin. studies, resp., suggesting that selective targeting of this enzyme presents a validated therapeutic strategy for the treatment of TB. In this work, we report tetrahydronaphthalene amides (THNAs) as a new class of ATP synthase inhibitors that are effective in preventing the growth of Mycobacterium tuberculosis (M.tb) in culture. Design, synthesis and comprehensive structure-activity relationship studies for approx. 80 THNA analogs are described, with a small selection of compounds exhibiting potent (in some cases MIC90 <1 μg/mL) in vitro M.tb growth inhibition taken forward to pharmacokinetic and off-target profiling studies. Ultimately, we show that some of these THNAs possess reduced lipophilic properties, decreased hERG liability, faster mouse/human liver microsomal clearance rates and shorter plasma half-lives compared with bedaquiline, potentially addressing of the main concerns of persistence and phospholipidosis associated with bedaquiline.

European Journal of Medicinal Chemistry published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C28H18O4, Formula: C3H5BN2O2.

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

Wang, Gang published the artcileSynthesis, structure characterization and antibacterial activities of the Schiff base condensed from 1-phenyl-3-methyl-4-(p-methylbenzoyl)-5-pyrazolone and L-phenylane ethyl ester and its metal complexes, Computed Properties of 4551-69-3, the publication is Xinxiang Yixueyuan Xuebao (2015), 32(1), 8-11, database is CAplus.

The aim of the research was to synthesize a Schiff base derived from 1-phenyl-3-methyl-4-(p-methylbenzoyl)-5-pyrazolone (HPMTP) with L-phenylane Et ester and its metal complexes [Cu (II), Co (II), Ni (II), Fe (II), Mn (II)] and test their possible structures and antibacterial activity. The possible structures were given to the six compounds by elemental anal., 1H NMR (¹H NMR) and IR spectroscopy (IR) methods. The antibacterial activity tests at different concentrations against E. coli and B. subtilis were performed using diffusion test in vitro. The possible structure of schiff base ligand and its metal complexes was deduced according to the results of ¹H-NMR and IR. All compounds had the activity of inhibiting the growth of the E. coli and B. subtilis at 1.25, 2.50, 5.00 g·L^-1, and the antibacterial activity was the highest at 2.50 g·L^-1. The order of the antibacterial activity was metal complex > Schiff base ligand > HPMTP. Especially, the antibacterial activity of Cu (II) and Co (II) complexes was the best. Cu (II) and Co (II) complexes were worth for them to be future developed.

Xinxiang Yixueyuan Xuebao published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C11H21BO2Si, Computed Properties of 4551-69-3.

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

Zhou, Zhen published the artcile4-Benzoyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one/PdCl₂-catalyzed Suzuki coupling reactions under mild aerobic conditions, Quality Control of 4551-69-3, the publication is Huaxue Tongbao (2016), 79(3), 243-247, database is CAplus.

A simple com. ligand 4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one had been applied to the palladium-catalyzed Suzuki-Miyaura cross-coupling in this paper. The effect of reaction condition, such as temperature, time, solvents and bases on the yield of product had been evaluated. Under the optimized conditions, a variety of aryl bromides and phenylboronic acid were successfully cross-coupled in high yield at a low catalytic loading of 0.1 (mol)%. Furthermore, the less reactive reactants such as aryl chlorides was explored to enlarge the scope of this cross-coupling, and it was found that the catalytic system employing the ligand in DMF/H₂O provided a general and convenient method to prepare biaryls from activated aryl chlorides. Besides, the optimal experiments revealed that the improvement of reaction time/temperature as well as the polarity of the proton solvent turned out to be the effective method for the coupling reaction.

Huaxue Tongbao published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C18H28BNO2, Quality Control of 4551-69-3.

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

Toutov, Anton A. published the artcileSilylation of C-H bonds in aromatic heterocycles by an Earth-abundant metal catalyst, Product Details of C4H6N2, the publication is Nature (London, United Kingdom) (2015), 518(7537), 80-84, database is CAplus and MEDLINE.

Heteroaromatic compounds containing C-Si (C-Si) bonds are of great interest in the fields of organic electronics and photonics, drug discovery, nuclear medicine and complex mol. synthesis, because these compounds have very useful physicochem. properties. Many of the methods now used to construct heteroaromatic C-Si bonds involve stoichiometric reactions between heteroaryl organometallic species and Si electrophiles or direct, transition-metal-catalyzed intermol. C-H (C-H) silylation using Rh or Ir complexes in the presence of excess H acceptors. Both approaches are useful, but their limitations include functional group incompatibility, narrow scope of application, high cost and low availability of the catalysts, and unproven scalability. For this reason, a new and general catalytic approach to heteroaromatic C-Si bond construction that avoids such limitations is highly desirable. Here the authors report an example of cross-dehydrogenative heteroaromatic C-H functionalization catalyzed by an Earth-abundant alkali metal species. Readily available and inexpensive K tert-butoxide catalyzes the direct silylation of aromatic heterocycles with hydrosilanes, furnishing heteroarylsilanes in a single step. The silylation proceeds under mild conditions, in the absence of H acceptors, ligands or additives, and is scalable to >100 g under optionally solvent-free conditions. Substrate classes that are difficult to activate with precious metal catalysts are silylated in good yield and with excellent regioselectivity. The derived heteroarylsilane products readily engage in versatile transformations enabling new synthetic strategies for heteroaromatic elaboration, and are useful in their own right in pharmaceutical and materials science applications.

Nature (London, United Kingdom) published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C6H10N2, Product Details of C4H6N2.

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

Sakai, Holt A. published the artcileCross-Electrophile Coupling of Unactivated Alkyl Chlorides, Recommanded Product: 4-Chloro-1-methyl-1H-pyrazolo[3,4-b]pyridine, the publication is Journal of the American Chemical Society (2020), 142(27), 11691-11697, database is CAplus and MEDLINE.

Overcoming intrinsic limitations of C(sp³)-Cl bond activation, the development of a novel organosilane reagent Si(TMS)₃(N)R¹R² (R¹ = adamantyl, tert-Bu, i-Pr, n-Bu; R² = H) that can participate in chlorine atom abstraction under mild photocatalytic conditions were reported. In particular, the application of this mechanism to a dual nickel/photoredox catalytic protocol that enables the first cross-electrophile coupling of unactivated alkyl chlorides R³Cl (R³ = cyclohexyl, oxan-4-yl, 4-cyanobutyl, etc.) and aryl chlorides R⁴Cl (R⁴ = pyridin-4-yl, quinolin-3-yl, 2-(methylsulfanyl)pyrimidin-5-yl, etc.) was described. Employing these low-toxicity, abundant, and com. available organochloride building blocks, this methodol. allows access to a broad array of highly functionalized C(sp₂)-C(sp₃) coupled adducts, e.g., I including numerous drug analogs.

Journal of the American Chemical Society published new progress about 1268520-92-8. 1268520-92-8 belongs to pyrazoles-derivatives, auxiliary class Other Aromatic Heterocyclic,Chloride, name is 4-Chloro-1-methyl-1H-pyrazolo[3,4-b]pyridine, and the molecular formula is C7H6ClN3, Recommanded Product: 4-Chloro-1-methyl-1H-pyrazolo[3,4-b]pyridine.

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

Wang, Yingjun published the artcileSynthesis of Neutral Brilliant Yellow 3GL, Computed Properties of 14580-22-4, the publication is Pige Huagong (2002), 19(4), 23-27, database is CAplus.

The neutral brilliant yellow 3GL was synthesized by condensing 2,4-diaminobenzenesulfonic acid with cyanuric chloride, condensing with aniline, diazotizing, and then coupling with 3- methyl-1-(2-chlorophenyl)-5(4H)-pyrazolone (I). The intermediate (I) was also synthesized from 2-chloroaniline by diazotization, reduction, hydrolysis, condensation with Et acetoacetate, and self-cyclization.

Pige Huagong published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C4H5NS2, Computed Properties of 14580-22-4.

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

Ma, Jingyi published the artcileSynthesis, physicochemical and antimicrobial properties of cardanol-derived quaternary ammonium compounds (QACs) with heterocyclic polar head, Application of 1-Methylpyrazole, the publication is Journal of Molecular Liquids (2019), 111669, database is CAplus.

As new biomass derived raw material, cardanol has attracted the attention of numerous academic and industrial groups due to its renewability and unique structural features. In this work, seven cardanol-derived quaternary ammonium compounds (QACs) were synthesized with their physicochem. properties and antimicrobial ability evaluated. The surface tension was measured in aqueous medium by the platinum ring method, 2b has the optimal surface activities, which is considerably better than commercialized QAC product cetyltrimethylammonium bromide. Both broth dilution method and agar dilution method were used to obtain the MIC and MBC values of the targeted QACs. 1a, 1b, 2b inhibit the tested bacterial at a concentration of 32μg/mL. SEM (SEM) results intuitively showed that the QACs could interact with the bacterial cell membrane, for disrupting the integrity of the membrane. Meanwhile, it was found that the antimicrobial activity depended not only on the alkyl chain length, but also on the CMC value. To sum, seven cardanol-derived QACs were synthesized easily, which showed excellent surface activities and antimicrobial activity, as a promising alternative to the existing fossil fuel derived cationic surfactants and antiseptics.

Journal of Molecular Liquids published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Application of 1-Methylpyrazole.

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

Liu, Chen-Fei published the artcileIridium(III)-Catalyzed Tandem Annulation Synthesis of Pyrazolo[1,2-α]cinnolines from Pyrazolones and Sulfoxonium Ylides, Application In Synthesis of 4551-69-3, the publication is Journal of Organic Chemistry (2019), 84(1), 409-416, database is CAplus and MEDLINE.

A highly efficient iridium-catalyzed cascade annulation of pyrazolones and sulfoxonium ylides to access various pyrazolo[1,2-α]cinnoline derivatives has been achieved. This novel approach expanded the application scope of coupling partners to ylides. The control experiments were performed to give insight into the mechanism of this reaction.

Journal of Organic Chemistry published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Application In Synthesis of 4551-69-3.

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