Tag: M.W=150-200

Songsichan, T. published the artcileThiocyanation of Pyrazoles Using KSCN/K2S2O8 Combination, COA of Formula: C9H8N2O, the main research area is pyrazole potassium thiocyanate persulfate promoter regioselective thiocyanation green chem; thiocyanatopyrazole preparation.

A convenient and practical thiocyanation of pyrazoles employed a combination of KSCN and K2S2O8 in DMSO (DMSO) was reported. The salient features of the present reaction included environmentally benign reagents, solvents and simple operation. The reaction showed wide functional group tolerance and gave moderate to excellent yields.

SynOpen published new progress about Cyanation, thiocyanation (regioselective). 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, COA of Formula: C9H8N2O.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Kottha, Thirumalaswamy S. published the artcileA Bioisosteric and Scaffold Hopping Approach for the Design and Synthesis of Double Ring Replacement Analogues of 4-Aryl-4H-Chromenes and in silico Tubulin Inhibitor Studies, Recommanded Product: 5-Phenyl-1H-pyrazol-3(2H)-one, the main research area is aryl chromene bioisosteric analog preparation green chem tubulin inhibitor.

An eco-friendly reaction protocol was developed for the synthesis of heterocyclic hybrid scaffolds through bioisosteric replacement and scaffold hopping approach. The isosteric analogs of salicylaldehyde were designed, identified/synthesized and employed in a three component reaction to afford bioisosteric analogs of 4-aryl-4H-chromenes. Thus central core swapping of benzene-pyridine/pyrazole ring on 4-aryl-4H-chromenes was achieved under simple one-pot reaction conditions and easy work-up. Docking studies show that almost all the compounds possess good binding affinities at the colchicine binding site of tubulin.

ChemistrySelect published new progress about Gastrointestinal absorption. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Recommanded Product: 5-Phenyl-1H-pyrazol-3(2H)-one.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Aromi, Guillem published the artcileA systematic exploration of nickel-pyrazolinato chemistry with alkali metals: New cages from serendipitous assembly, Synthetic Route of 27412-71-1, the main research area is crystal structure alkali metal nickel pyrazolinolato pivalato multinuclear cluster; alkali metal nickel pyrazolinolato pivalato multinuclear cluster preparation structure; magnetic property nickel pyrazolinolato pivalato multinuclear cluster.

The preparation and properties of fourteen novel paramagnetic [NiIIx] aggregates bridged by pivalate, pyrazolinolate and in most cases hydroxide are reported. A rich structural diversity was achieved by changing the nature of the alkali of the base used during the synthesis, leading to the nuclearities [NiII4NaI4] (2, 3, 4), [NiII5NaI4] (5, 6, 7), [NiII5LiI6] (8), [NiII8MI2] [M = K (9, 10), Rb (11, 12), Cs (13, 14)] and [NiII8] (15). All compounds were characterized by single-crystal x-ray diffraction; however, full crystallog. details are given only for the representative mols. [Ni4Na4(fpo)4(piv)8(Hpiv)8] (2), [Ni5Na4(OH)2(mpo)4(piv)8(Hpiv)2(MeCN)2] (5), [Ni5Li6(OH)2(fpo)2(piv)12(Hpiv)4] (8), [Ni8K2(OH)4(ppo)4(piv)10(Hppo)2(Hpiv)2(MeCN)2] (9), [Ni8Rb2(OH)4(ppo)4(piv)10(Hppo)2(Hpiv)2(MeCN)2] (11), [Ni8Cs2(OH)4(ppo)4(piv)10(Hppo)2(Hpiv)2(MeCN)2] (13) and [Ni8(OH)4(mpo)2(PhCH2CO2)10(Hmpo)8] (15), where 5-R-3-pyrazolone [R = Me (Hmpo), Et (Hepo), CF3 (Hfpo), Ph (Hppo)]. Variable-temperature bulk magnetization measurements were performed for each type of complex. The [NiII4NaI4] clusters show intramol. antiferromagnetic coupling and a spin ground state of S = 0. [NiII5NaI4] also display antiferromagnetic superexchange, leading to an S = 1 spin ground state. The mol. with nuclearity [NiII5Li16], in contrast, exhibits ferromagnetic interactions, resulting in the presence of low energy states with high multiplicity, and a spin ground state S > 1. The [NiII8M12] and [NiII8] clusters have the same topol. of spin carriers, which display predominantly antiferromagnetic interactions to yield a diamagnetic ground state. The coupling within these octanuclear NiII clusters is rationalized in terms of the nature of the Ni-O-Ni angles within the core.

Chemistry – A European Journal published new progress about Antiferromagnetic exchange. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Synthetic Route of 27412-71-1.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Ihara, Hideki published the artcileEasily Attachable and Detachable ortho-Directing Agent for Arylboronic Acids in Ruthenium-Catalyzed Aromatic C-H Silylation, Recommanded Product: 2-(1H-Pyrazol-3-yl)aniline, the main research area is arylboronic ester silylation regioselective pyrazolylaniline ortho directing ruthenium catalyst; silylated boronic ester Suzuki Miyaura coupling arene.

O-C-H silylation of arylboronic acids has been achieved using 2-pyrazol-5-ylaniline as an ortho-directing agent, which was temporarily attached to the boryl group via Ru-catalyzed silylation with hydrosilanes. Condensation products of arylboronic acids with 2-pyrazol-5-ylaniline were prepared in situ and subjected to reaction with triorganosilanes in the presence of RuH2(CO)(PPh3)3 at 135 °C. Regioselective silylation at their ortho-positions proceeded in good yields for phenylboronic acids bearing para-substituents such as chloro, fluoro, Me, methoxy, and trifluoromethyl groups. P-Methoxycarbonyl-substituted phenylboronic acid provided the corresponding silylated product in moderate yield. M-Tolyl- and 2-naphthylboronic acids underwent silylation selectively at the less sterically hindered ortho-positions. The silylated products were utilized in Suzuki-Miyaura coupling, followed either by iodination with ICl or by Tamao oxidation to furnish iodine- or hydroxy-substituted biaryls.

Journal of the American Chemical Society published new progress about Boronic acids Role: RCT (Reactant), RACT (Reactant or Reagent) (arylboronic acids). 111562-32-4 belongs to class pyrazoles-derivatives, name is 2-(1H-Pyrazol-3-yl)aniline, and the molecular formula is C9H9N3, Recommanded Product: 2-(1H-Pyrazol-3-yl)aniline.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Ahmadi, Tahereh published the artcileDomino synthesis of quinoxaline derivatives using SBA-Pr-NH2 as a nanoreactor and their spectrophotometric complexation studies with some metals ions, Computed Properties of 27412-71-1, the main research area is diamine aryl multicomponent spirocyclization ninhydrin malononitrile cyanoacetate active methylene; indenoquinoxaline spirocyclic preparation amino SBA catalyst; quinoxaline complexation transition metal.

Amino-functionalized SBA-15 (SBA-Pr-NH2) with a pore size of 6 nm has been used as a basic nanocatalyst in the domino one-pot synthesis of indenoquinoxaline derivatives via the four-component reaction of ninhydrin, 1,2-diaminoarenes, malonodinitrile or Et cyanoacetate, and active methylene compounds using microwave irradiation The solid basic catalyst plays a significant role in catalysis, enhancing the rate and yield of the reaction, it can be easily handled and removed from the reaction mixture by simple filtration and also reused several times without substantial loss of reactivity. Moreover, the complexation reaction between quinoxaline as a model ligand and some metal ions including Cd2+, Co2+, Cu2+, Fe3+, Hg2+, Ni2+, Pb2+, and Zn2+ ions was examined spectrophotometrically in DMF solution at 25 °C. The formation constants of the resulting complexes were calculated from the computer fitting of the molar absorbance measurements in different mole ratios. The obtained data indicated that the stability constant of the resulting complexes varied in the following order Pb2+> Hg2+> Cd2+> Ni2+> Cu2+> Fe3+> Zn2+> Co2+.

Journal of the Iranian Chemical Society published new progress about Active methylene compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Computed Properties of 27412-71-1.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Yamamoto, Takeshi published the artcileRegioselective Synthesis of o-Benzenediboronic Acids via Ir-Catalyzed o-C-H Borylation Directed by a Pyrazolylaniline-Modified Boronyl Group, Application of 2-(1H-Pyrazol-3-yl)aniline, the main research area is benzenediboronic acid preparation; iridium catalyzed carbon hydrogen bond borylation arylboronate pyrazolylaniline directed; arylboronic acid iridium catalyzed borylation.

Ir-catalyzed ortho-directed C-H borylation of pyrazolylaniline (PZA)-modified arylboronic acids with bis(pinacolate)diboron afforded o-benzenediboronic acids in which two boronyl groups are differentially modified by pinacol (PIN) and PZA. By using this borylation after nondirected Ir-catalyzed C-H borylation, o-benzenediboronic acids are conveniently synthesized from unfunctionalized arenes. The differentially modified o-benzenediboronic acids undergo selective oxidation and Suzuki-Miyaura cross-coupling at the PZA-modified boronyl groups, affording o-functionalized arylboronic acids selectively.

Organic Letters published new progress about Arylboronic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 111562-32-4 belongs to class pyrazoles-derivatives, name is 2-(1H-Pyrazol-3-yl)aniline, and the molecular formula is C9H9N3, Application of 2-(1H-Pyrazol-3-yl)aniline.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Jung, Jae-Chul published the artcileSynthesis of 3-substituted and 3,4-disubstituted pyrazolin-5-ones, Application In Synthesis of 27412-71-1, the main research area is acetoacetate acid chloride acylation; malonate acid chloride acylation; hydroxybutenoate preparation hydrazine cyclocondensation; alkylidenemalonate preparation hydrazine cyclocondensation; pyrazolinone preparation.

The synthesis of 3-substituted and 3,4-disubstituted pyrazolin-5-ones from acylated Et acetoacetates and di-Et malonates is described. The reaction of acylated Et acetoacetates and di-Et acetylmalonate with hydrazine (98%) gave 3-substituted pyrazolin-5-ones and malonyldihydrazide, resp., following a deacetylation-condensation sequence. The reaction of Et 2-acetyl-3-hydroxy-2-butenoate (I; R = Me) and di-Et 2-(1-hydroxyethylidene)malonate (I; R = EtO) with hydrazine monohydrochloride yielded Et 3,5-dimethyl-1H-pyrazole-4-carboxylate (II) and 4-ethoxycarbonyl-3-methylpyrazolin-5-one (III), resp., following a dehydration-cyclocondensation sequence, in high yields.

Tetrahedron published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Application In Synthesis of 27412-71-1.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Bhandari, Shashikant V. published the artcileDesign, synthesis and pharmacological screening of novel nitric oxide donors containing 1,5-diarylpyrazolin-3-one as nontoxic NSAIDs, Name: 5-Phenyl-1H-pyrazol-3(2H)-one, the main research area is diarylpyrazolinone preparation; ethyl acetoacetate diethylmalonate benzoyl chloride condensation cyclocondensation nucleophilic substitution; NSAID inflammation antiinflammatory pain analgesic structure activity vasorelaxant; prostaglandin synthase COX2 inhibitor mol simulation acute ulcerogenicity histopathol.

Various substituted 1,5-diarylpyrazol-3-one derivatives were synthesized and screened for analgesic, anti-inflammatory activities, ulcerogenic potential and for their ability to release nitric oxide. Most compounds exhibited significant analgesic and anti-inflammatory activities. It was interesting to note that out of ten compounds, I (R = H) (59.64%) was found to have anti-inflammatory activity greater than the standard drug Indomethacin (57.89%), whereas II (R = 2-OMe) (57.89%) was found to be equipotent to that of standard, Indomethacin. The pharmacol. studies suggested that the presence of 4-nitro and 2-methoxy on Ph ring at C5 of pyrazole has a significant anti-inflammatory activity and 4-chloro substitution on same Ph ring was found to have decreased activity. However only a Ph substituted derivative was found to have most potent activity. I (R = H) containing plane Ph at C5 of pyrazole was found to have significant analgesic activity (56.86%) in acetic acid induced writhing model. I and II (R = 4-Cl) having 4-chloro substituted Ph ring showed least analgesic activity (10.78%) and (6.86%) resp. The compounds also showed significantly reduced GI-ulcerogenicity and gastroprotective results in histopathol. studies i.e. they were found to be causing no mucosal injury. All the synthesized compounds were found to exhibit significant nitric oxide releasing activity, in both in vitro and in vivo models. Mol. docking studies served to be an important tool for the study of binding of compounds with that of a COX-2 enzyme. The results of the docking studies were found to endorse the result of exptl. work. Thus, the rationale used to design the NCEs was found to produce the promising results as anticipated. Therefore it can be said that the strategy employed can serve as an important tool in future for the design and development of novel therapeutic agents of various categories too.

European Journal of Medicinal Chemistry published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Name: 5-Phenyl-1H-pyrazol-3(2H)-one.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Huang, Zhen-Zhong published the artcileA convenient oxidation of 5-substituted pyrazol-3(2H)-ones into methyl 2-alkynoates using poly[4-(diacetoxyiodo)styrene], Category: pyrazoles-derivatives, the main research area is pyrazolone polyacetoxyiodostyrene oxidation ring cleavage; alkynoate preparation; alkyne carboxylate preparation.

An operationally simple oxidation of 5-substituted pyrazol-3(2H)-ones to the corresponding Me 2-alkynoates in good yields with a mediated poly[4-(diacetoxyiodo)styrene] system in methanol and acetonitrile at room temperature was carried out. The polymeric reagent can be regenerated and reused as an environmentally benign reagent.

Journal of the Chinese Chemical Society (Taipei, Taiwan) published new progress about Alkynes Role: SPN (Synthetic Preparation), PREP (Preparation). 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Category: pyrazoles-derivatives.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Si, Wei-Jie published the artcileDesign, synthesis, antifungal activity and 3D-QSAR study of novel pyrazole carboxamide and niacinamide derivatives containing benzimidazole moiety, Synthetic Route of 769132-77-6, the main research area is pyrazole carboxamide niacinamide benzimidazole preparation antifungal; quant structure activity relationship.

A series of novel pyrazole carboxamide I (R1 = H, Cl, Me; R2 = Me, CF3), II (R1 = H, Cl, Me; R2 = Me, i-Bu) and niacinamide derivatives III (R1 = H, Cl, Me; R2 = H, Cl, SH) containing a benzimidazole moiety were designed and synthesized as antifungal candidate agents. The structure of compound I (R1 = H; R2 = Me) was confirmed by single crystal X-ray diffraction anal. The antifungal activities of the target compounds were evaluated in vitro against four phytopathogenic fungi (namely Botrytis cinerea, Rhizoctonia solani, Fusarium graminearum and Alternaria solani) by the mycelium growth inhibition method. The bioassay results indicated that some of the compounds exhibited good antifungal activity against B. cinerea at 100 μg ML-1 compared to other three fungi. In order to better explore the structure-activity relationship (SAR), the EC50 values of target compounds against B. cinerea were measured and assessed. Subsequently, a 3D quant. structure-activity relationship (3D-QSAR) study was carried out using the comparative mol. field anal. (CoMFA) technique based on the inhibitory activities of tested compounds against B. cinerea. Mol. modeling results revealed fine predictive ability with cross-validated q2 and non-cross-validated r2 values of 0.578 and 0.850, resp.

New Journal of Chemistry published new progress about Fungal plant disease. 769132-77-6 belongs to class pyrazoles-derivatives, name is 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid, and the molecular formula is C9H14N2O2, Synthetic Route of 769132-77-6.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics