Tag: 100-200

Investigation of ESIPT in a panel of chromophores presenting N-H···N intramolecular hydrogen bonds was written by Hubin, Pierre O.;Laurent, Adele D.;Vercauteren, Daniel P.;Jacquemin, Denis. And the article was included in Physical Chemistry Chemical Physics in 2014.Product Details of 19959-77-4 This article mentions the following:

Thermodn. and kinetic aspects of excited state intramol. proton transfer (ESIPT) are investigated in 11 chromophores harboring an intramol. N-H···N hydrogen bond [pyridyl pyrazole, pyridyl pyrrole, azaindole, pyridyl indole, pyrroloquinoline, and an analog of the Blue Fluorescent Protein (BFP) chromophore] with the help of quantum mech. calculations For pyridyl pyrazoles, simulated spectra are used to help the interpretation of exptl. ones and the effects of several substituents are investigated. Then it is shown that Time-Dependent D. Functional Theory fails to satisfactorily describe the energetic aspects of ESIPT for the BFP chromophore analog. Equation-of-Motion Coupled Cluster theory is thus used to reach accurate insights for this challenging case. In the experiment, the researchers used many compounds, for example, 2-(5-Methyl-1H-pyrazol-3-yl)pyridine (cas: 19959-77-4Product Details of 19959-77-4).

2-(5-Methyl-1H-pyrazol-3-yl)pyridine (cas: 19959-77-4) belongs to pyrazole derivatives. Pyrazoles, a five-membered heterocycle containing two adjacent nitrogen atoms, are the core structures found in a number of molecules that possess a wide range of pharmaceutical and agricultural activities. The pyrazole ring is resistant to oxidation and reduction but the groups, such as alkyl and formyl attached to the ring, are oxidized to respective acids. Only electrolytic oxidation, ozonolysis, and a strong base cause ring opening.Product Details of 19959-77-4

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

New ruthenium(II) complexes with pyridinopyrazole and pyridinopyrazoline ligands: structure study by proton, carbon-13, and ruthenium-99 NMR was written by Marzin, C.;Budde, F.;Steel, P. J.;Lerner, D.. And the article was included in New Journal of Chemistry in 1987.Application of 19959-77-4 This article mentions the following:

RuL₃²⁺ (I), Ru(bpy)L₂²⁺ (II) and Ru(bpy)₂L²⁺ (III) (bpy = 2,2′-bipyridine; L = pyridinopyrazoles and pyridinopyrazolines) were prepared; their study allows the evaluation of the ligand π-acceptor ability on the complex properties; especially ⁹⁹Ru NMR and Ru²⁺/Ru³⁺ oxidation potential measurements show a good π-acceptor behavior of 1 of the pyridinopyrazoline ligands. All II and III and most of I, emit at 77 K which is rather unusual; 1 of these gives rise to a double emission, possibly from 2 isomers. ¹H and ¹³C NMR studies show the presence of geometric isomers for I and II and of diastereoisomeric ones for I–III when L includes a pyrazoline unit. In the experiment, the researchers used many compounds, for example, 2-(5-Methyl-1H-pyrazol-3-yl)pyridine (cas: 19959-77-4Application of 19959-77-4).

2-(5-Methyl-1H-pyrazol-3-yl)pyridine (cas: 19959-77-4) belongs to pyrazole derivatives. Pyrazole and its derivatives are considered a pharmacologically important active scaffold that possesses almost all types of pharmacological activities. Pyrazoles can be selectively lithiated at different carbons and subsequently react with electrophiles depending on the substitution patterns.Application of 19959-77-4

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

N,N’-Dioxide/Gadolinium(III)-Catalyzed Asymmetric Conjugate Addition of Nitroalkanes to α,β-Unsaturated Pyrazolamides was written by Yao, Qian;Wang, Zhen;Zhang, Yuheng;Liu, Xiaohua;Lin, Lili;Feng, Xiaoming. And the article was included in Journal of Organic Chemistry in 2015.Formula: C5H7ClN2 This article mentions the following:

A highly efficient N,N’-dioxide/Gd(III) complex has been developed for the enantioselective conjugate addition of nitroalkanes to α,β-unsaturated pyrazolamides. Under mild reaction conditions, a series of γ-nitropyrazolamides, e.g., I, were obtained in good to excellent yields (up to 99%) with excellent enantioselectivities (up to 99% ee). What’s more, the optically active products could be easily transformed into γ-nitroesters which were key intermediates for the preparation of paroxetine, pregabalin and boclofen. In the experiment, the researchers used many compounds, for example, 4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8Formula: C5H7ClN2).

4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8) belongs to pyrazole derivatives. An alternative way to synthesize multisubstituted pyrazoles is the Csingle bondH arylation of simple pyrazoles. The pyrazole ring is resistant to oxidation and reduction but the groups, such as alkyl and formyl attached to the ring, are oxidized to respective acids. Only electrolytic oxidation, ozonolysis, and a strong base cause ring opening.Formula: C5H7ClN2

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

Electron density distribution in-heterocyclic systems with two adjacent nitrogen atoms. V. Dipole moments of some halo, amino, and hydroxy derivatives of pyrazole was written by Hillers, S.;Mazeika, I.;Grandberg, I. I.;Gorbacheva, L. I.. And the article was included in Khimiya Geterotsiklicheskikh Soedinenii in 1967.SDS of cas: 15953-73-8 This article mentions the following:

Dipole moments, μ, of 19 pyrazole (I) derivatives have been measured in C6H6 or dioxane at 25° and compared with those calculated The calculations were based on the geometrical structure of I determined by means of x-rays and the values of dipole moments of substituents were taken from the literature. The values found were (the substituents in I, solvent, μdetd. (D.), μcalcd. (D.) given): 1-phenyl-3-amino, C6H6, 1.85, 1.44; 1-phenyl-4-amino, C6H6, 2.36, 2.68; 1-phenyl-5-amino, C6H6, 3.34, 3.41; 1-phenyl-3-chloro, C6H6, 3.76, 3.49; 1-phenyl-4-chloro, C6H6, 2.28, 2.38; 1-phenyl-5-chloro, C6H6, 1.25, 0.51; 1-phenyl-4-bromo, C6H6, 2.28, 2.36; 1-phenyl-5-bromo, C6H6, 1.33, 0.48; 3,5-diphenyl-4-bromo, C6H6, 2.62, 2.49; 3,5-dimethyl-4-chloro, C6H6, 2.43, 2.51; 3,5-dimethyl-4-iodo, C6H6, 2.19, 2.21; 3,4-dibromo, C6H6, 4.66, 3.96; 3,4,5-tribromo, C6H6, 2.48, 3.05; 3,5-dimethyl-4-nitro, C6H6, 3.88, 3.54; 1-phenyl-3-hydroxy, dioxane, 2.18, -; 1-phenyl-4-hydroxy, dioxane, 2.43, -; 1-phenyl-5-hydroxy, dioxane, 3.41, -; 1-p-aminophenyl, C6H6, 2.97, 3.00; 1-p-hydroxyphenyl, dioxane, 2.71, 2.72. The difference between μdetd. and μcalcd. represents the interaction of substituents with the I nucleus, thus indicating the degree of the polarization of I nucleus as the function of the nature and position of substituents. Also, it was shown that I has an unsym. structure with a H atom bound to one N atom only. Since there are 2 possible tautomeric structures of 3,4-dibromopyrazole, it follows from the comparison of exptl. and calculated μ’s that it has the structure II. In the experiment, the researchers used many compounds, for example, 4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8SDS of cas: 15953-73-8).

4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8) belongs to pyrazole derivatives. As is the case with imidazoles, the pyrazole ring offers many opportunities to create new multiring systems that incorporate this heterocycle. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, antidiabetic and antibacterial activities.SDS of cas: 15953-73-8

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

Chiral phosphoric acid-catalyzed enantioselective three-component aza-Diels-Alder reactions of aminopyrroles and aminopyrazoles was written by Brioche, Julien;Courant, Thibaut;Alcarez, Lilian;Stocks, Mark;Furber, Mark;Zhu, Jieping;Masson, Geraldine. And the article was included in Advanced Synthesis & Catalysis in 2014.Name: 3-Methyl-4-nitro-1H-pyrazole This article mentions the following:

A highly stereoselective three-component Povarov reaction, catalyzed by (R)- and (S)-BINOL hydrogen phosphate, was achieved for the first time with aminopyrroles and aminopyrazoles as 2-azadiene precursors. A variety of aldehydes, enecarbamates, amino-substituted azines participated in the reaction to afford the tetrahydropyrrolopyridines and tetrahydropyrazolopyridines in good yields with excellent diastereo- and enantioselectivities. A stereochem. model was proposed to account for the observed absolute stereochem. In the experiment, the researchers used many compounds, for example, 3-Methyl-4-nitro-1H-pyrazole (cas: 5334-39-4Name: 3-Methyl-4-nitro-1H-pyrazole).

3-Methyl-4-nitro-1H-pyrazole (cas: 5334-39-4) belongs to pyrazole derivatives. The 1H-pyrazole provides an excellent means by which to provide the requisite hydrogen bond acceptor–donor motifs, whether as a monocyclic ring or as a fused indazole ring. Pyrazole the presence of this nucleus in pharmacological agents of diverse therapeutic categories such as celecoxib, a potent anti-inflammatory, the antidepressant agent fezolamide have proved the pharmacological potential of the pyrazole moiety. Name: 3-Methyl-4-nitro-1H-pyrazole

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

Assembly of dinuclear copper(II) complexes based on a tridentate pyrazol-pyridine ligand: Crystal structures and magnetic properties was written by Yang, Feng-Lei;Zhu, Guang-Zhou;Liang, Bei-Bei;Shi, Yan-Hui;Li, Xiu-Ling. And the article was included in Polyhedron in 2017.Safety of 2-(5-Methyl-1H-pyrazol-3-yl)pyridine This article mentions the following:

Three dinuclear copper(II) complexes, [Cu₂(μ-L)₂X₂] (X = Cl^–, 1; X = NO₃^–, 2; X = CH₃COO^–, 3), were synthesized using the relevant Cu²⁺ salts with the tridentate ligand 2-(5-methyl-1H-pyrazol-3-yl)pyridine (HL) by a diffusion or solvothermal method. These compounds were all characterized by element analyses, IR and x-ray single-crystal diffraction. All the complexes afford a di-ligand-bridged Cu₂ unit, in which the two Cu²⁺ ions and the two ligands are almost coplanar. Each Cu²⁺ ion is chelated by the (N-N)_{pyridine-pyrazole} pocket and doubly bridged by the (N-N)_pyrazole groups, leaving the remaining coordination positions occupied by different anionic coligands to balance the charge. Magnetic investigations reveal that the τ values have more effect than the coplanarity of the Cu-(N:N)₂-Cu unit on the antiferromagnetic strength in this system. In the experiment, the researchers used many compounds, for example, 2-(5-Methyl-1H-pyrazol-3-yl)pyridine (cas: 19959-77-4Safety of 2-(5-Methyl-1H-pyrazol-3-yl)pyridine).

2-(5-Methyl-1H-pyrazol-3-yl)pyridine (cas: 19959-77-4) belongs to pyrazole derivatives. Pyrazole and its derivatives are considered a pharmacologically important active scaffold that possesses almost all types of pharmacological activities. Pyrazoles can be selectively lithiated at different carbons and subsequently react with electrophiles depending on the substitution patterns.Safety of 2-(5-Methyl-1H-pyrazol-3-yl)pyridine

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

α-Substituted boron difluoride acetylacetonates was written by Svistunova, I. V.;Fedorenko, E. V.. And the article was included in Russian Journal of General Chemistry in 2008.HPLC of Formula: 15953-73-8 This article mentions the following:

By treatment of α-substituted acetylacetone derivatives with boron trifluoride etherate, a series of earlier unknown boron difluoride complexes is obtained. The series includes binuclear complexes containing boron in the chelate fragment connected via sulfur or selenium atoms. Gas chromatog. and spectral characteristics of the obtained compounds were investigated. By means of chromato-mass spectrometry their reaction with hydrazine in acidic and alk. media was studied. In the experiment, the researchers used many compounds, for example, 4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8HPLC of Formula: 15953-73-8).

4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8) belongs to pyrazole derivatives. The 1H-pyrazole provides an excellent means by which to provide the requisite hydrogen bond acceptor–donor motifs, whether as a monocyclic ring or as a fused indazole ring. Protonation of pyrazole in strong acid leads to pyrazolium cations, which undergo electrophilic substitution preferentially at C3 rather than C4. The pyrazole anion is not reactive toward nucleophiles but is mostly reactive to electrophiles.HPLC of Formula: 15953-73-8

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

Development of new fungicides against Magnaporthe grisea: synthesis and biological activity of pyrazolo[3,4-d][1,3]thiazine, pyrazolo[1,5-c][1,3,5]thiadiazine, and pyrazolo[3,4-d]pyrimidine derivatives was written by Vicentini, Chiara B.;Forlani, Giuseppe;Manfrini, Maurizio;Romagnoli, Carlo;Mares, Donatella. And the article was included in Journal of Agricultural and Food Chemistry in 2002.COA of Formula: C8H15N3 This article mentions the following:

Some pyrazolo[3,4-d]pyrimidin-4(5H)-thione, pyrazolo[3,4-d][1,3]thiazin-4-one/thione, and pyrazolo[1,5-c][1,3,5]thiadiazine-4-one/thione derivatives were synthesized and screened for antifungal activity against the causal agent of rice blast disease, Magnaporthe grisea. In all cases a remarkable inhibition of fungal growth was found in the range from 10 to 200 μg mL^-1. Several compounds were able to control mycelial growth at a rate of 10 μg mL^-1, a concentration at which the reference compound tricyclazole was completely ineffective. At least in the case of the most active substance, at the same dose the growth of seedlings or cultured cells of rice was substantially unaffected. Results allowed definition of structural requirements either to maintain or to enhance mycotoxic activity. In the experiment, the researchers used many compounds, for example, 1-(tert-Butyl)-3-methyl-1H-pyrazol-5-amine (cas: 141459-53-2COA of Formula: C8H15N3).

1-(tert-Butyl)-3-methyl-1H-pyrazol-5-amine (cas: 141459-53-2) belongs to pyrazole derivatives. Pyrazole and its derivatives are considered a pharmacologically important active scaffold that possesses almost all types of pharmacological activities. Pyrazole the presence of this nucleus in pharmacological agents of diverse therapeutic categories such as celecoxib, a potent anti-inflammatory, the antidepressant agent fezolamide have proved the pharmacological potential of the pyrazole moiety. COA of Formula: C8H15N3

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

Nitrogen systems. VI. Some nucleophilic displacements on 1-carbamoylpyrazoles was written by Scott, Francis L.. And the article was included in Chemistry & Industry (London, United Kingdom) in 1956.Related Products of 934-48-5 This article mentions the following:

ZCSNH₂ (throughout this abstract Z = 3,5-dimethyl-1-pyrazolyl) (I) refluxed in EtOH with RNH₂ [R = Bu] (II), cyclohexyl (III), Ph₂NCONH, H₂O.NH₂, or PhNHNH₂ (IV)], morpholine (V), or piperidine (VI) gave the corresponding monosubstituted thiourea. I with aniline (VII) or benzylamine the sym. disubstituted thiourea. ZC(:NH)NHR [R = Bz (VIII), SO₂C₆H₄Me-p (IX), and CSNHPh (X)] were unaffected by II, III, IV, V, or VI in EtOH, but, in the absence of EtOH, VIII on refluxing with II, III, VI, or VII gave the corresponding Bz derivatives of the mono substituted guanidines and with V gave both 4-(benzoylguanyl)morpholine and BzN:CR₂(R = morpholino). Similarly IX refluxed with II, III, IV, V or VI in the absence of EtOH gave the p-tolylsulfonyl derivatives of the corresponding monosubstituted guanidines. ZC(:NH)NHC(SMe):NR.HI or its 4-Cl or 4-Br derivative (R = Ph) on refluxing in EtOH with amines gives very little reaction, but refluxing with II, III, or V in the absence of EtOH gives RC(:NH)NHC(SMe):NPh (R = the corresponding amino group), α-C₁₀H₇NHCONHC(:NH)Z in EtOH refluxed with II, III, IV, V, or VI gives the corresponding α-naphthyl ureas and ZH. Use of an azide ion gives with ZC(:NH)NHR(R = H or NO₂) 5-amino- and 5-nitraminotetrazoles, resp. Cf. C.A. 47, 6886a, 8670g, 9923c. In the experiment, the researchers used many compounds, for example, 3,5-Dimethyl-1H-pyrazole-1-carboxamide (cas: 934-48-5Related Products of 934-48-5).

3,5-Dimethyl-1H-pyrazole-1-carboxamide (cas: 934-48-5) belongs to pyrazole derivatives. Pyrazole has two ring nitrogen atoms in which N1 is pyrrolic and N2 is pyridine-like. The N1 nitrogen is not reactive but is deprotonated in the presence of a base-forming anion. The pyrazole ring is resistant to oxidation and reduction but the groups, such as alkyl and formyl attached to the ring, are oxidized to respective acids. Only electrolytic oxidation, ozonolysis, and a strong base cause ring opening.Related Products of 934-48-5

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

Calcium carbide as the acetylide source: transition-metal-free synthesis of substituted pyrazoles via [1,5]-sigmatropic rearrangements was written by Yu, Yue;Huang, Wei;Chen, Yang;Gao, Bingjie;Wu, Wanqing;Jiang, Huanfeng. And the article was included in Green Chemistry in 2016.Recommanded Product: 3-(1H-Pyrazol-3-yl)pyridine This article mentions the following:

Under transition-metal-free conditions, N-tosylhydrazones derived from aldehydes or ketones were reacted with an acetylide source, calcium carbide to afford 3-substituted pyrazoles I [R¹ = C₆H₅, 3-BrC₆H₄, H₄C₆(CH₂)₂, 2-thienyl, etc.; R² = H] and 3,4-disubstituted pyrazoles I [R¹ = Me, Et, n-Pr, C₆H₅; R² = C₆H₅, 4-F₃CC₆H₄, 2-naphthyl, etc.] resp. in good yields with high regioselectivities. The results of deuterium-labeling experiments indicated that these reactions proceed through [3 + 2] cycloadditions followed by [1,5]-sigmatropic rearrangements. In the experiment, the researchers used many compounds, for example, 3-(1H-Pyrazol-3-yl)pyridine (cas: 45887-08-9Recommanded Product: 3-(1H-Pyrazol-3-yl)pyridine).

3-(1H-Pyrazol-3-yl)pyridine (cas: 45887-08-9) belongs to pyrazole derivatives. An alternative way to synthesize multisubstituted pyrazoles is the Csingle bondH arylation of simple pyrazoles. Protonation of pyrazole in strong acid leads to pyrazolium cations, which undergo electrophilic substitution preferentially at C3 rather than C4. The pyrazole anion is not reactive toward nucleophiles but is mostly reactive to electrophiles.Recommanded Product: 3-(1H-Pyrazol-3-yl)pyridine

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