Category: isoxazole

Lang, Jian published the artcileDifunctionalization of the Isocyano Group: Atom-Economic Synthesis of Pyrimidinediones, Recommanded Product: 3-Phenylisoxazol-5(2H)-one, the publication is Synlett (2019), 30(3), 252-256, database is CAplus.

The exploration of synthetic methods involving the formation of new chem. bonds at both the nitrogen and carbons atoms of the isocyano group would largely enrich the structural diversity of compounds Herein, we disclosed a silver-catalyzed difunctionalization of the isocyano group with cyclic oximes. This method can generate a great array of structurally novel and interesting pyrimidinediones and features excellent atom economy, good functional group compatibility, and amenability to late-stage modifications.

Synlett published new progress about 1076-59-1. 1076-59-1 belongs to isoxazole, auxiliary class Oxazoline,Benzene,Ester, name is 3-Phenylisoxazol-5(2H)-one, and the molecular formula is C9H7NO2, Recommanded Product: 3-Phenylisoxazol-5(2H)-one.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Ho, Cheuk-Lam published the artcileSynthesis, characterization, photophysics and electrophosphorescent applications of phosphorescent platinum cyclometalated complexes with 9-arylcarbazole moieties, Application of 9-(4-Fluorophenyl)-9H-carbazole, the publication is Journal of Organometallic Chemistry (2009), 694(17), 2735-2749, database is CAplus.

Cyclometalating Pt(II) complexes with substituted 9-arylcarbazolyl chromophores were synthesized and characterized. These complexes are thermally stable and most of them were characterized by x-ray crystallog. The phosphorescence emissions of the complexes are dominated by ³MLCT excited states. The excited state properties of these complexes can be modulated by varying the electronic characteristics of the cyclometalating ligands via substituent effects, thus allowing the emission to be tuned from bright green to yellow, orange and red light. The correlation between the functional properties of these metallophosphors and the results of d. functional theory calculations was made. Because of the propensity of the electron-rich carbazolyl group to facilitate hole injection/transport, the presence of such moiety can increase the HOMO levels and improve the charge balance in the resulting complexes relative to the parent Pt(II) phosphor with 2-phenylpyridine ligand. The solution-processed electrophosphorescent organic light-emitting diodes doped with these Pt-based phosphors were fabricated which showed a maximum external quantum efficiency of 2.77% for the best device, corresponding to a power efficiency of 3.48 lm/W and a luminance efficiency of 8.49 cd/A. The present work enables the rational design of Pt-carbazolyl electrophosphors by synthetically tailoring the structure of carbazolylpyridine ring that can permit good color-tuning versatility suitable for multi-color display technol.

Journal of Organometallic Chemistry published new progress about 57103-14-7. 57103-14-7 belongs to isoxazole, auxiliary class Fused Tricycles,Carbazoles, name is 9-(4-Fluorophenyl)-9H-carbazole, and the molecular formula is C18H12FN, Application of 9-(4-Fluorophenyl)-9H-carbazole.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Liu, Li published the artcileExploring 9-arylcarbazole moiety as the building block for the synthesis of photoluminescent group 10-12 heavy metal diynes and polyynes with high-energy triplet states, Formula: C18H12FN, the publication is Journal of Polymer Science, Part A: Polymer Chemistry (2006), 44(19), 5588-5607, database is CAplus.

A new series of organic-soluble and thermally stable group 10 platinum(II) polyyne polymers functionalized with 9-arylcarbazole moiety trans-[-Pt(PBu₃)₂C≡CRC≡C-]_n (R = 9-arylcarbazole-3,6-diyl; aryl = Ph, p-methylphenyl, p-fluorophenyl) were prepared in good yields by Hagihara’s dehydrohalogenative polymerization of trans-[PtCl₂(PBu₃)₂] with HC≡CRC≡CH under ambient conditions. The regiochem. structures of the polymers were characterized by multinuclear NMR spectroscopy. We discuss the optical spectroscopy of these polymetallaynes and compare the results with their bimetallic mol. model complexes trans-[Pt(Ph)(PEt₃)₂C≡CRC≡CPt(Ph)(PEt₃)₂] as well as its group 11 gold(I) and group 12 mercury(II) congeners [(PPh₃)AuC≡CRC≡CAu(PPh₃)] and [MeHgC≡CRC≡CHgMe]. The structural properties of several model complexes were studied by X-ray crystallog. The influence of the heavy metal atom and the 9-aryl substituent of carbazole on the phosphorescence behavior and the spatial distribution of the lowest singlet (S₁) and triplet (T₁) excitons in these metalated alkynyl systems are comprehensively elucidated. The present work indicates that the efficiency of organic triplet emissions harnessed through the heavy-atom effect of group 10-12 transition metals in the main chain generally follows the order Pt > Au > Hg but the optical properties of the materials are relatively insensitive to the nature of the 9-aryl group on the carbozolyl ring. All of these metallaynyl-carbazole materials with high-energy T₁ states of 2.68 eV or higher show high phosphorescene efficiencies at low temperatures

Journal of Polymer Science, Part A: Polymer Chemistry published new progress about 57103-14-7. 57103-14-7 belongs to isoxazole, auxiliary class Fused Tricycles,Carbazoles, name is 9-(4-Fluorophenyl)-9H-carbazole, and the molecular formula is C18H12FN, Formula: C18H12FN.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Guo, Yuanyuan published the artcileParecoxib ameliorates renal toxicity and injury in sepsis-induced mouse model and LPS -induced HK-2 cells, Related Products of isoxazole, the publication is Drug Development Research (2022), 83(3), 659-668, database is CAplus and MEDLINE.

Parecoxib is a selective COX-2-specific inhibitor, which has been demonstrated to inhibit sepsis-induced systemic inflammation, but its role in sepsis-induced acute kidney injury has not been studied. This study was designed to investigate the effects of Parecoxib on sepsis-induced acute kidney injury. In this study, the mice sepsis model was established using an internationally recognized cecal ligation and puncture (CLP). Hematoxylin-eosin staining was performed to examine kidney injury. Biochem. kit was used to detect the expression of BUN and Cre in serum, and ELISA was used to detect the expression of inflammatory factors in renal tissue. Tunel staining was used to detect tissue apoptosis. Furthermore, CCK-8 assay was used to detect the cell viability of HK-2 cells and RT-qPCR was used to detect the expression of LPS-induced inflammatory factors in HK-2 cells. TUNEL staining was used to detect the level of cell apoptosis. Finally, the expressions of COX-2, p-NF-kB P65, p-IKKβ, NF-kB P65, IKKβ, Kim1, NGAL, iNOS, VEGF, VEGFR2, CD31 and apoptosis-related proteins in renal tissues and HK-2 cells were detected by Western blot. We discovered that parecoxib could alleviate renal pathol. changes, reduce renal function injury, and inhibit renal pathol. to inhibit the release of inflammatory factors in renal tissue. Parecoxib inhibited sepsis induced microvascular damage and apoptosis in renal tissue. Parecoxib reduced the inflammation and apoptosis of renal tubular epithelial cells induced by LPS. Our data suggest that Parecoxib ameliorates sepsis-induced kidney injury, and may have potential as a novel therapeutic method for treating sepsis-induced kidney injury.

Drug Development Research published new progress about 198470-85-8. 198470-85-8 belongs to isoxazole, auxiliary class Immunology/Inflammation,COX, name is Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide, and the molecular formula is C19H17N2NaO4S, Related Products of isoxazole.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

He, Lijiang published the artcileEfficacy analysis of parecoxib sodium in postoperative analgesia of thoracolumbar fractures, Recommanded Product: Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide, the publication is Fujian Yiyao Zazhi (2014), 36(4), 113-114, database is CAplus.

Objective: To observe the clin. efficacy of parecoxib sodium in thoracolumbar fracture postoperative analgesia. Methods: 52 cases of patients with posterior decompression internal fixation surgery of general anesthesia after single thoracolumbar vertebral fracture were randomly divided into group A and group B. A group was given i.v. parecoxib sodium injection 40 mg after surgery, and group B for i.m. injection tramadol 100 mg. The onset time, visual analog pain scores, and adverse reactions at each time point of two groups were compared. Results: A group had analgesic onset time (11.36 ± 5.63) min, group B had analgesic onset time (17.27 ± 8.75) min, and the difference was statistically significant (P < 0.05). At each point visual analog analgesia score of A group was lower than that of group B, and A group had better analgesic effect (P < 0.05). The group A had better incidence of adverse reactions than group B (P < 0.05). Conclusion: Parecoxib sodium can effectively alleviate the thoracolumbar fracture postoperative pain, and is appropriate medication for i.v. analgesia.

Fujian Yiyao Zazhi published new progress about 198470-85-8. 198470-85-8 belongs to isoxazole, auxiliary class Immunology/Inflammation,COX, name is Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide, and the molecular formula is C19H17N2NaO4S, Recommanded Product: Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Wang, Liang published the artcileRhodium-catalyzed olefination of aryl tetrazoles via direct C-H bond activation, Formula: C8H5F3N4, the publication is Organic & Biomolecular Chemistry (2014), 12(40), 7923-7926, database is CAplus and MEDLINE.

Rh(III)-catalyzed direct olefination reaction via aromatic C-H bond activation is described using tetrazole as the directing group. This reaction provides a straightforward way for the synthesis of ortho-alkenyl aryl tetrazoles. Various functional groups tolerate the reaction conditions and afford the corresponding products in moderate to excellent yields.

Organic & Biomolecular Chemistry published new progress about 2251-79-8. 2251-79-8 belongs to isoxazole, auxiliary class Trifluoromethyl,Fluoride,Benzene, name is 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole, and the molecular formula is 0, Formula: C8H5F3N4.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Roh, Jaroslav published the artcileOne-pot regioselective vinylation of tetrazoles: preparation of 5-substituted 2-vinyl-2H-tetrazoles, SDS of cas: 2251-79-8, the publication is Tetrahedron Letters (2010), 51(10), 1411-1414, database is CAplus.

The one-pot regioselective preparation of 5-aryl/alkyl-2-vinyl-2H-tetrazoles from 5-substituted tetrazoles via a very simple procedure using 1,2-dibromoethane and triethylamine without the need of any catalyst is described. The mechanism of this reaction is also discussed.

Tetrahedron Letters published new progress about 2251-79-8. 2251-79-8 belongs to isoxazole, auxiliary class Trifluoromethyl,Fluoride,Benzene, name is 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole, and the molecular formula is C8H5F3N4, SDS of cas: 2251-79-8.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Sukanya, S. H. published the artcileAn efficient p-TSA catalyzed synthesis of some new substituted-(5-hydroxy-3-phenylisoxazol-4-yl)-1,3-dimethyl-1H-chromeno[2,3-d]pyrimidine-2,4(3H,5H)-dione/3,3-dimethyl-2H-xanthen-1(9H)-one scaffolds and evaluation of their pharmacological and computational investigations, Related Products of isoxazole, the publication is Journal of Molecular Structure (2022), 133587, database is CAplus.

An easy and efficient protocol for the synthesis of a series of some novel substituted-(5-hydroxy-3-phenylisoxazol-4-yl)-1,3-dimethyl-1H-chromeno[2,3-d]pyrimidine-2,4(3H,5H)-diones, I [R = H, 5-methoxy, 7-nitro, etc.] /3,3-dimethyl-2H-xanthen-1(9H)-one derivatives II [R¹ = H, 5-methoxy, 7-nitro, etc.] via p-TSA catalyzed reaction of 1,3-dimethylbarbituric acid/dimedone, substituted salicylaldehyde/2-hydroxy-naphthaldehyde and 3-phenyl-5-isoxazolone was administered in refluxed temperature in the presence of aqueous ethanol was reported. All the obtained compounds I and II were evaluated for their therapeutic effect using pharmacol. and computational investigations, and structures were confirmed using anal. and spectroscopic techniques. Absorption spectra were recorded in six different solvents such as polar protic, polar aprotic, and nonpolar solvents, λ_max of all the compounds I and II appeared at bathochromic shift towards the longer wavelength due to the π-π* & n-π* transitions. The results of pharmacol. investigations revealed that the compounds I [R = C₄H₄, 7-bromo] and II [R¹ = C₄H₄] possessed excellent cytotoxicity efficacy, and compounds I [R = C₄H₄, 7-nitro] andII [R¹ = C₄H₄, 7-nitro] showed better anti-TB efficiency. The SAR study shows the importance of the electron-withdrawing group and addnl. Ph nucleus enhancing the biol. potency of the compounds The results of the in silico mol. docking studies revealed that the compounds I [R = C₄H₄] and II [R¹ = C₄H₄] effectively interacted with P38 MAP kinase (-10.9 kcal/mol) and InhA-Enoyl-Acyl Carrier Protein Reductase (-11.0 kcal/mol), resp. Further, the mol. dynamics (MD) simulation studies revealed that the compounds I [R = C₄H₄] and II [R¹ = C₄H₄] stabilized the macromol. structures in terms of RMSD, RMSF, the Radius of gyration, and SASA compared to their unbound and standard compound bound structures. DFT study suggested that the compounds are chem. and biol. more reactive due to less energy gap.

Journal of Molecular Structure published new progress about 1076-59-1. 1076-59-1 belongs to isoxazole, auxiliary class Oxazoline,Benzene,Ester, name is 3-Phenylisoxazol-5(2H)-one, and the molecular formula is C11H8O3, Related Products of isoxazole.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Sukanya, S. H. published the artcileFacile TiO₂ NPs catalysed synthesis of substituted-4-Hydroxy/methoxy benzylidene derivatives as potent antioxidant and anti-tubercular agents, Name: 3-Phenylisoxazol-5(2H)-one, the publication is Chemical Data Collections (2021), 100713, database is CAplus.

In this work, a facile synthesis of a series of substituted-4-hydroxy/methoxy benzylidene derivatives e.g., I via Knoevenagel condensation reaction of different active methylene compounds e.g., II with 4-hydroxy/methoxy benzaldehyde under reflux condition in aqueous EtOH using catalytic amount of TiO₂ NPs was reported. The structures of all the obtained compounds were confirmed by anal. and spectroscopic methods and screened for their antioxidant and anti-tubercular activities. Antioxidant activity results revealed that, the compound I with IC₅₀ value 105.48μg/mL showed very effective DPPH scavenging activity and compound III with IC₅₀ value 129.72μg/mL exhibited most effective nitric oxide radical scavenging activity compared to the reference standard BHT and ascorbic acid resp. From the results of anti-TB activity, compound IV displayed a more sensitivity at 25μg/mL. Furthermore, synthesized compounds were assessed for mol. docking studies on the target enzymes Human peroxiredoxin 5 and enoyl-ACP reductase and they were emerged has an active antioxidant and anti-TB agents with least binding energy -5.8 and -8.0 kJ mol^-1 resp.

Chemical Data Collections published new progress about 1076-59-1. 1076-59-1 belongs to isoxazole, auxiliary class Oxazoline,Benzene,Ester, name is 3-Phenylisoxazol-5(2H)-one, and the molecular formula is C44H28ClFeN4, Name: 3-Phenylisoxazol-5(2H)-one.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Zhou, Yibo published the artcileHighly Efficient Ligands for the Palladium-Assisted Double N-Arylation of Primary Amines for One-Sep Construction of Carbazoles, Name: 9-(4-Fluorophenyl)-9H-carbazole, the publication is Advanced Synthesis & Catalysis (2010), 352(4), 616-620, database is CAplus.

A highly efficient one-pot synthesis of carbazoles via palladium-catalyzed double N-arylation of primary amines with 2,2′-dihalobiphenyls is described using (Pd₂dba₃) as catalyst and I or II as the ligand. The process is effective for double N-arylation of 2,2′-biphenyl dibromide, diiodide, and even dichloride with a variety of primary amines including neutral, electron-rich, electron-deficient, and sterically hindered anilines as well as aliphatic amines.

Advanced Synthesis & Catalysis published new progress about 57103-14-7. 57103-14-7 belongs to isoxazole, auxiliary class Fused Tricycles,Carbazoles, name is 9-(4-Fluorophenyl)-9H-carbazole, and the molecular formula is C3H5F3O, Name: 9-(4-Fluorophenyl)-9H-carbazole.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem