Category: isoxazole

Pardasani, R. T. published the artcileSynthesis, computational study, configurational analysis and biological activity of imidazolidinone, thiazolidinone and isoxazolone derivatives of 1,2-naphthoquinone, Formula: C9H7NO2, the publication is Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (2014), 53B(5), 619-624, database is CAplus.

The Knoevenagel type condensation reactions of 1,2-naphthoquinone with imidazolidinone, thiazolidinone and isoxazolone to yield their resp. derivatives I [X = NH, N(CH₃), S; Y = O, S, NH] were described. DFT calculation revealed that the heat of formation (δH_f) of monocondensation products are much lower than the corresponding biscondensation products, suggesting their feasibility and thermodn. stability. Newly synthesized products showed significant antibacterial and antifungal activity.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal 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, Formula: C9H7NO2.

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

Ni, Kai published the artcileEffects of flurbiprofen axetil and parecoxib sodium on postoperative pain and serum inflammatory stress indexes in patients with radical cervical cancer surgery, COA of Formula: C19H17N2NaO4S, the publication is Zhongguo Fuyou Baojian (2021), 36(5), 994-997, database is CAplus.

Objective To investigate the effects of flurbiprofen axetil and parecoxib sodium on postoperative pain and serum inflammatory stress indexes in patients with radical cervical cancer surgery. Methods cervical cancer 124 patients with radical operation from Dec. 2016 to Jan. 2019 in the hospital were divided into flurbiprofen axetil group (group A, 62 cases) and parecoxib sodium group (group B, 62 cases) according to random number table. Drugs are dissolved in 100mL of normal saline, analgesia was administered twice when the incision was closed and 12 h after the operation. The number of effective compressions, the dosage of sufentanil and the occurrence of adverse reactions at 24 h after operation were compared. The changes of serum inflammatory stress indexes before and after operation were compared between the two groups. Results The patients in group A were compared at 2 h, 6 h VAS score was significantly lower than that in group B (P<0.05), and the VAS score at 12h, 18h and 24h after surgery was higher than that in group B (P<0.05). The serum levels of TNF-α, IL-6, IL-8 and PCT in group B after surgery, 12h and 24h after surgery were significantly lower than those in group A (P<0.05). The effective compression times of PCIA in group B and the dosage of sufentanil in group B were significantly lower than those in group A (P<0.05). The total incidence of postoperative adverse reactions in group B was 11.29%, slightly lower than 16.13% in group A patients (P<0.05). Conclusion Flurbiprofen axetil and parecoxib sodium Both can significantly reduce postoperative pain in patients with radical resection of cervical cancer, and parecoxib sodium can reduce postoperative serum inflammatory response in patients.

Zhongguo Fuyou Baojian 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, COA of Formula: C19H17N2NaO4S.

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

Yu, Liping published the artcileFacile Synthesis of Spirocyclic Tetrahydroquinolines via C(sp³)-H Functionalization in a Cascade Redox Process, Product Details of C9H7NO2, the publication is Synthesis (2022), 54(5), 1309-1320, database is CAplus.

An environmentally benign cascade redox process was developed for the efficient construction of the pharmaceutically significant spirocyclic tetrahydroquinolines via sequential S_NAr/Knoevenagel condensation/[1,5]-hydride transfer/cyclization. This green transformation has the features of being catalyst-free, additive-free, operationally simple and has high step- and atom-economy.

Synthesis 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 C12H10O4S, Product Details of C9H7NO2.

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

Do, Ha Nam published the artcileEfficient Copper-Catalyzed Synthesis of Carbazoles by Double N-Arylation of Primary Amines with 2,2′-Dibromobiphenyl in the Presence of Air, Category: isoxazole, the publication is Synlett (2021), 32(6), 611-615, database is CAplus.

An efficient Cu-catalyzed synthesis of carbazole derivatives is reported, which proceeds by double C-N coupling reactions of 2,2′-dibromobiphenyl and amines in the presence of air. The reaction is robust, proceeds in high yields, and tolerates a series of amines including neutral, electron-rich, electron-deficient aromatic amines and aliphatic amines.

Synlett 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, Category: isoxazole.

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

Mahran, Asma M. published the artcileSynthesis and antiproliferative activity of novel polynuclear heterocyclic compounds derived from 2,3-diaminophenazine, Application In Synthesis of 1076-59-1, the publication is European Journal of Medicinal Chemistry (2015), 568-576, database is CAplus and MEDLINE.

2,3-Diaminophenazine was used as a precursor for the preparation of novel phenazine derivatives such as imidazo[4,5-b]phenazine-2-thione and its derivatives All compounds were tested as inhibitors of the proliferation of human lung carcinoma and colorectal cancer cell lines through inhibition of tyrosine kinases. Most of compounds exert good activity against the two cancer cell lines. Five compounds were found to possess the same activity as the standard drug cisplatin. The synthesis of the target compounds was achieved using 2,3-phenazinediamine, 5,5-dimethyl-1,3-cyclohexanedione, 3-phenyl-5(4H)-isoxazolone, 2,4-dihydro-5-methyl-2-phenyl-3-pyrazol-3-one, 3-oxobutanoic acid Et ester, propanedioic acid, benzoic acid, ethanedioyl dichloride, 3,4-dichloro-2,5-furandione, 2-chloro-2-(2-phenylhydrazinylidene)acetic acid Et ester, benzaldehyde derivatives, etc., as starting materials. The title compounds thus formed included 2-(3-chlorophenyl)-1H-imidazo[4,5-b]phenazine, 1,3-dihydro-2H-imidazo[4,5-b]phenazine-2-thione, 1,4-dihydropyrazino[2,3-b]phenazine-2,3-dione, N,N‘-2,3-phenazinediylbis[benzamide].

European Journal of Medicinal 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 In Synthesis of 1076-59-1.

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

Priya, Y. Sushma published the artcileIntricate spectroscopic profiling, light harvesting studies and other quantum mechanical properties of 3-phenyl-5-isooxazolone using experimental and computational strategies, HPLC of Formula: 1076-59-1, the publication is Journal of Molecular Structure (2020), 127461, database is CAplus.

This manuscript presents the detailed exptl. and computational structural, phys. property study of 3-phenyl-5-isoxazolone (3P5I). Different exptl. spectral studies like IR, UV, Raman and NMR were used to get an insight on the actual structure of the compound |It was followed by computational simulation of the structure using DFT approach employing B3LYP functional and 6-311++G (d, p) basis set. Scaled quantum mech. force field method (SQMFF) was used to assign different vibrations in the spectra using normal coordinate anal. (NCA) and found that close agreement with investigational values. Exptl. NMR spectra (¹H and ¹³C NMR) were also compared with the theor. simulated spectra using GIAO-gauge independent AO formalism. The UV-vis spectrum of compound was also studied extensively using theor. and exptl. techniques. Most importantly, the compound shows high light harvesting efficiency hence can be used like a very good photosensitizer in DSSC (dye sensitized solar cells). The overall efficiency of the cell is more than 8% in a titanium dioxide based cell, which is high when compared to similar cells. MEP surfaces, HOMO-LUMO, NLO properties, chem. reactivity descriptors, NBO anal., and Mulliken at. charge anal. were also executed to predict phys. as well as chem. properties. Mol. docking simulations show that the compounds can be used as effective apoptosis agonist and antiasthmatic agent.

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, HPLC of Formula: 1076-59-1.

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

Zhu, Yizhong published the artcileOne-pot synthesis of 5-substituted 1H-tetrazoles from aryl bromides with potassium hexakis(cyano-κC)ferrate(4-) (K₄[Fe(CN)₆]) as cyanide source, Recommanded Product: 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole, the publication is Helvetica Chimica Acta (2009), 92(1), 171-175, database is CAplus.

A one-pot procedure for the synthesis of 5-substituted 1H-tetrazoles through the three-component reaction between an aryl bromide, potassium hexakis(cyano-κC)ferrate(4-) (K₄[Fe(CN)₆]) and NaN₃ catalyzed by [Pd(OAc)₂] and ZnBr₂ in the presence of 1,4-diazabicyclo[2.2.2]octane (dabco) was developed. Furthermore, the reaction occurred under nonacidic conditions and involved a nontoxic cyanide source, making this method a quite attractive one.

Helvetica Chimica Acta 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 C8H17Br, Recommanded Product: 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole.

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

Khalili, Dariush published the artcileImpregnated copper ferrite on mesoporous graphitic carbon nitride: An efficient and reusable catalyst for promoting ligand-free click synthesis of diverse 1,2,3-triazoles and tetrazoles, Recommanded Product: 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole, the publication is Applied Organometallic Chemistry (2019), 33(11), e5219, database is CAplus.

Synthesis of magnetic CuFe₂O₄/g-C₃N₄ hybrids via a facile method and their catalytic performances were evaluated via click chem. was reported. The structural and morphol. characterization of CuFe₂O₄, g-C₃N₄, CuFe₂O₄/g-C₃N₄ were carried out by different techniques such as X-ray diffraction, high-resolution transmission electron microscopy, field emission SEM, Fourier IR spectroscopy, vibrating sample magnetometry, thermogravimetric anal. and N₂ adsorption-desorption anal. (Brunauer-Emmett-Teller surface area). The utilization of magnetic CuFe₂O₄/g-C₃N₄ enabled superior performance in the one-pot azide-alkyne cycloaddition reaction in water using alkyl halides and epoxides as azide precursors without the need of any addnl. agents to afford triazoles I [R = cyclohexyl, allyl, Bn, etc.; Ar = Ph, 2-methoxynaphthalenyl] and II [Ar¹ = Ph, 2-methoxynaphthalenyl; R¹ = H, Ph, 4-ClC₆H₄; R² = H, Et, CH₂OPh, etc.]. Also 5-substituted 1H-tetrazoles III [Ar² = Ph, 4-MeC₆H₄, 2-ClC₆H₄, etc.] were prepared via [3 + 2] cycloaddition of sodium azide and aryl nitriles by using magnetic CuFe₂O₄/g-C₃N₄ nanoparticles. In addition, the catalytic system highly fulfilled the demands of “green click chem.” with its convenient conditions, especially easy access to a variety of significant products in low catalyst loading and simple work-up and isolation procedure.

Applied Organometallic 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, Recommanded Product: 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole.

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

Tsuda, Masato published the artcileSuzuki-Miyaura cross-coupling of 3,4-disubstituted 5-bromoisoxazoles: An efficient access to trisubstituted isoxazoles, Product Details of C9H7NO2, the publication is Tetrahedron Letters (2021), 153185, database is CAplus.

The Suzuki-Miyaura cross-coupling of 3,4-disubstituted 5-bromoisoxazoles at the C5 position was successfully proceeded in the presence of Pd₂(dba)₃ and P(t-Bu)₃·HBF₄ catalysts gave the isoxazoles in good to high yields while suppressing the formation of ketone as a byproduct. The use of bulky phosphine ligand P(t-Bu)₃·HBF₄ was essential for the current transformation, and the formation of ketone, which was a major product in the previous report, was able to be suppressed under the current conditions.

Tetrahedron Letters 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 C13H10F2, Product Details of C9H7NO2.

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

Bhanuchandra, M. published the artcileTransition-Metal-Free Synthesis of Carbazoles and Indoles by an S_NAr-Based “Aromatic Metamorphosis” of Thiaarenes, Synthetic Route of 57103-14-7, the publication is Angewandte Chemie, International Edition (2015), 54(35), 10234-10238, database is CAplus and MEDLINE.

Dibenzothiophene dioxides, e.g. I, which are readily prepared through oxidation of the parent dibenzothiophenes, undergo nucleophilic aromatic substitution with anilines RNH₂ (R = Ph, 4-MeC₆H₄, 4-H₂C:CHC₆H₄, 2,4,6-Me₃C₆H₂, 1,3-benzodioxol-5-yl, etc.) intermolecularly and then intramolecularly to yield the corresponding carbazoles, e.g. II, in a single operation. The “aromatic metamorphosis” of dibenzothiophenes into carbazoles does not require any heavy metals. This strategy is also applicable to the synthesis of indoles. Since electron-deficient thiaarene dioxides exhibit interesting reactivity, which is not observed for that the corresponding electron-rich azaarenes, a combination of a thiaarene-dioxide-specific reaction with the S_NAr-based aromatic metamorphosis allows transition-metal-free construction of difficult-to-prepare carbazoles.

Angewandte Chemie, International Edition 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, Synthetic Route of 57103-14-7.

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