Month: November 2022

Zhang, Lei published the artcileAnalgesic effect of parecoxib sodium on anterior cruciate ligament reconstruction under arthroscopy and its effect on inflammatory factors, Name: Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide, the publication is Chongqing Yixue (2014), 43(33), 4532-4534, database is CAplus.

The aim is to study analgesic effect of parecoxib sodium on anterior cruciate ligament reconstruction under arthroscopy and its effect on inflammatory factors. By randomized controlled trial, 40 cases of anterior cruciate ligament reconstruction under arthroscopy were enrolled and divided into 2 groups: group A, i.v. injection of 40 mg parecoxib sodium 30 min before skin incision; group B, i.v. injection of 40 mg parecoxib sodium 30 min after skin incision. After reconstruction, both groups took PCIA pump with tramadol hydrochloride for analgesia. The VAS score and dosage of tramadol hydrochloride were compared at different time points before and after reconstruction. The serum IL-6 and IL-8 levels were also compared 30 min before skin incision(T1), 8 h after reconstruction(T2). 2 H after reconstruction, there was no statistic difference in VAS for both groups. But 8, 12 and 24 h after reconstruction, the VAS score in group B was obviously higher than that in group A. Group A took obviously less tramadol hydrochloride than group B. Result showed that the parecoxib sodium had better effect on anterior cruciate ligament reconstruction under arthroscopy and inflammatory factors.

Chongqing Yixue 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 C6H5N3S, Name: Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide.

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

Khutorianskyi, Andrii published the artcileDifluoromethyl Nitrile Oxide (CF₂HCNO): A Neglected Chemical Reagent, Quality Control of 1935503-24-4, the publication is European Journal of Organic Chemistry (2017), 2017(27), 3935-3940, database is CAplus.

The synthesis of CF₂H-isoxazoles I [R = CN, C(O)CH₃, CO₂Me, etc.] via [3+2]-cycloaddition of a novel chem. reagent – difluoromethyl nitrile oxide (CF₂HCNO) in-situ generated from difluoromethylacetaldehyde oximes with alkynes/enamines was reported. These products were promising cores for agrochem. A representative CHF₂-isoxazole was incorporated into the known fungicide Fluxapyroxad and the synthesized analog showed higher antifungal activity than the parent fungicide.

European Journal of Organic Chemistry published new progress about 1935503-24-4. 1935503-24-4 belongs to isoxazole, auxiliary class Difluoromethylated Building Blocks, name is 3-(Difluoromethyl)isoxazole-5-carboxylic acid, and the molecular formula is C5H3F2NO3, Quality Control of 1935503-24-4.

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

Ambrose, James F. published the artcileElectrochemical and spectroscopic properties of cation radicals. III. Reaction pathways of carbazolium radical ions, COA of Formula: C18H12FN, the publication is Journal of the Electrochemical Society (1975), 122(7), 876-94, database is CAplus.

The anodic oxidation pathways of seventy-six ring-substituted carbazoles are examined using electrochem. and spectral techniques. The reactivity of the substituted carbazole cation radicals is also determined The C-3, C-6, and N-9 positions are extremely reactive; if these sites are not blocked by inert substituents the cation radicals generated by electrolytic oxidation react rapidly via coupling-deprotonation. In some cases, substituents are eliminated from the C-3 and C-6 positions in the cation radicals followed by coupling to form substituted bicarbazyls. In other cases, relatively stable cation radicals are obtained and their EPR and visible absorption spectra are observed The reactivities of substituted carbazole cation radicals are greater than those of analogous di- and triphenylaminium ions due to the planarity of the carbazole aromatic rings.

Journal of the Electrochemical Society 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, COA of Formula: C18H12FN.

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

Hernandez-Perez, Augusto C. published the artcilePhotochemical Synthesis of Complex Carbazoles: Evaluation of Electronic Effects in Both UV- and Visible-Light Methods in Continuous Flow, Quality Control of 57103-14-7, the publication is Chemistry – A European Journal (2015), 21(46), 16673-16678, database is CAplus and MEDLINE.

An evaluation of both a visible-light- and UV-light-mediated synthesis of carbazoles e. g., I, from various triarylamines with differing electronic properties under continuous-flow conditions has been conducted. In general, triarylamines bearing electron-rich groups tend to produce higher yields than triarylamines possessing electron-withdrawing groups. The incorporation of nitrogen-based heterocycles, as well as halogen-containing arenes in carbazole skeletons, was well tolerated, and often synthetically useful complementarity was observed between the UV-light and visible-light (photoredox) methods.

Chemistry – A European Journal 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, Quality Control of 57103-14-7.

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

Wang, Liang published the artcileOne-Pot Synthesis of 2,5-Diaryl 1,3,4-Oxadiazoles via Di-tert-butyl Peroxide Promoted N-Acylation of Aryl Tetrazoles with Aldehydes, Name: 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole, the publication is Journal of Organic Chemistry (2015), 80(9), 4743-4748, database is CAplus and MEDLINE.

A metal- and base-free protocol for one-pot synthesis of 2,5-diaryl-1,3,4-oxadiazoles via a radical-promoted cross-dehydrogenative coupling strategy was developed. E.g., in presence of di-tert-Bu peroxide in DCE, reaction of 5-phenyl-2H-tetrazole with 4-MeC₆H₄CHO gave 73% 2,5-diaryl-1,3,4-oxadiazole (I). This reaction involved the N-acylation of aryl tetrazoles with aryl aldehydes, followed by thermal rearrangement. A wide range of aryl tetrazoles and aryl aldehydes survived the reaction conditions to deliver the corresponding products in moderate to good yields.

Journal of Organic 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, Name: 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole.

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

Chen, Yuesu published the artcileVisible Light-Promoted Beckmann Rearrangements: Separating Sequential Photochemical and Thermal Phenomena in a Continuous Flow Reactor, Application of 3-Phenylisoxazol-5(2H)-one, the publication is European Journal of Organic Chemistry (2019), 2019(11), 2163-2171, database is CAplus and MEDLINE.

A very attractive alternative was the in situ generation of Vilsmeier-Haack reagents, by means of photoredox catalysis, as promoters for the thermal Beckmann rearrangement of oximes to amides which typically required strong acids or highly reactive, hazardous electrophiles and/or elevated temperatures to proceed. Investigation of the reaction parameters for this light-induced method using a one-pot strategy showed that the reaction was limited by the different temperatures required for each of the two sequential steps. Using a continuous flow reactor, the photochem. and thermal processes were separated by integrating a flow photoreactor unit at low temperature for the electrophile generation with a second reactor unit, at high temperature, where the rearrangement took place. This strategy enabled excellent conversions and yields for a diverse set of oximes, minimizing the formation of side products obtained with the original one-pot method.

European Journal of Organic Chemistry 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, Application of 3-Phenylisoxazol-5(2H)-one.

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

Brancatelli, Giovanna published the artcileCrystallographic and theoretical studies of (Z)/(E)-3-phenyl-4-(arylidene)isoxazol-5(4H)-ones, COA of Formula: C9H7NO2, the publication is Journal of Molecular Structure (2011), 998(1-3), 157-166, database is CAplus.

The arylidene-isoxazolone compounds, 3-phenyl-4-(2,4,6-trimethylbenzylidene)isoxazol-5(4H)-one, 3a, and 3-phenyl-4-(2,4,6-trimethoxybenzylidene)isoxazol-5(4H)-one, 3b, were prepared and characterized by IR spectroscopy and single-crystal X-ray diffraction. The X-ray anal. revealed that at the solid state the two mols. adopt different configuration at the exocyclic C=C bond, Z for 3a and E for 3b, resp. By using the d. functional theory (DFT) method with 6-31+G(d,p) basis set, the mol. geometry, vibrational frequencies, AOs and potential electrostatic maps were calculated and compared with the exptl. data. The calculated results showed that the optimized geometry can well reproduce the crystal structure. Calculations were performed about the thermodn. energy related to both the configurational isomer models of 3a,b in the ground state. In addition, a study aiming to understand the effect of the π-donor methoxy substituents on the proton affinity of the nitrogen atom was carried out.

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 C9H7NO2, COA of Formula: C9H7NO2.

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

Markgraf, J. Hodge published the artcileThe thermolysis of 5-aryl tetrazoles, Safety of 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole, the publication is Journal of Organic Chemistry (1964), 29(9), 2629-32, database is CAplus.

Rates of the thermal decomposition of 5-phenyltetrazole (I) in several solvents and of 5-aryl tetrazoles in PhCN were measured by a precise technique over the range of 180-185°. Solvent effects caused significant differences in rate which were consistent with a competing ionization of I. Substituent effects led to only a small variation of rate. Although activation enthalpies and entropies varied widely, they acted in a compensatory manner. There were no satisfactory correlations by substituent constants Product analyses, studies with Na 5-phenyltetrazolide, and conductance measurements were carried out. The overall behavior is consistent with the generation of a benzonitrile imine intermediate.

Journal of Organic 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 C8H5F3N4, Safety of 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole.

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

Essaghouani, Abdelhanine published the artcile3-Phenylisoxazolin-5-one: a redetermination, Recommanded Product: 3-Phenylisoxazol-5(2H)-one, the publication is IUCrData (2017), 2(1), x170032, database is CAplus.

The structure of the title mol., C₉H₇NO₂, has been redetermined to improved precision and the H atoms located [Cannas et al. (1969). Acta Crystalline B25, 1050]. The five-membered ring is almost planar (r.m.s. deviation = 0.006 Å) and subtends a dihedral angle of 2.45 (6)° with the benzene ring. In the crystal, mols. form ribbons running parallel to the a-axis direction through a combination of C-H···N and C-H···O hydrogen bonds. ‘Stair-step’ offset π-π stacking interactions are also observed

IUCrData 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

Camu, F. published the artcileParecoxib, propacetamol, and their combination for analgesia after total hip arthroplasty: a randomized non-inferiority trial, SDS of cas: 198470-85-8, the publication is Acta Anaesthesiologica Scandinavica (2017), 61(1), 99-110, database is CAplus and MEDLINE.

Background : This study assessed non-inferiority of parecoxib vs. combination parecoxib+propacetamol and compared the opioid-sparing effects of parecoxib, propacetamol, and parecoxib+propacetamol vs. placebo after total hip arthroplasty. Methods : In this randomized, placebo-controlled, parallel-group, non-inferiority study, patients received one of four IV treatments after surgery: parecoxib 40 mg bid (n = 72); propacetamol 2 g qid (n = 71); parecoxib 40 mg bid plus propacetamol 2 g qid (n = 72); or placebo (n = 38) with supplemental IV patient-controlled analgesia (morphine). Patients and investigators were blinded to treatment. Pain intensity at rest and with movement was assessed regularly, together with functional recovery (modified Brief Pain Inventory-Short Form) and opioid-related side effects (Opioid-Related Symptom Distress Scale) questionnaires up to 48 h. Results : After 24 h, cumulative morphine consumption was reduced by 59.8% (P < 0.001), 38.9% (P < 0.001), and 26.8% (P = 0.005) in the parecoxib+propacetamol, parecoxib, and propacetamol groups, resp., compared with placebo. Parecoxib did not meet criteria for non-inferiority to parecoxib+propacetamol. Parecoxib+propacetamol and parecoxib significantly reduced least-squares mean pain intensity scores at rest and with movement compared with propacetamol (P < 0.05). One day after surgery, parecoxib+propacetamol significantly reduced opioid-related symptom distress and decreased pain interference with function compared with propacetamol or placebo. Conclusion : Parecoxib and parecoxib+propacetamol provided significant opioid-sparing efficacy compared with placebo; non-inferiority of parecoxib to parecoxib+propacetamol was not demonstrated. Opioid-sparing efficacy was accompanied by significant reductions in pain intensity on movement, improved functional outcome, and less opioid-related symptom distress. Study medications were well tolerated.

Acta Anaesthesiologica Scandinavica 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, SDS of cas: 198470-85-8.

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