Tag: 100-200

Probing ¹J(C-F) and ⁿJ(F-F) Spin-Spin Coupling Constants for Fluoroazines: An Ab Initio Theoretical Investigation was written by Del Bene, Janet E.;Alkorta, Ibon;Elguero, Jose. And the article was included in Journal of Physical Chemistry A in 2010.HPLC of Formula: 33097-39-1 This article mentions the following:

Ab initio equation-of-motion coupled cluster singles and doubles calculations have been carried out to evaluate one-bond C-F coupling constants ¹J(C-F) and three-, four-, and five-bond F-F coupling constants ⁿJ(F-F) for a series of mono-, di-, and trifluoroazines. The computed ¹J(C-F) and ⁿJ(F-F) values for these are in good agreement with available exptl. coupling constants The values of ¹J(C-F) vary as the number and positions of N atoms and the number and relative positions of C-F bonds change, but it is difficult to discern general patterns for these changes due to opposing effects of the Fermi contact and paramagnetic spin-orbit terms. The majority of ¹J(C-F) values lie in a range that includes the three monosubstituted pyridines. For trifluoroazines, ¹J(C-F) for a C-F bond that is ortho to two other C-F bonds is greater than ¹J(C-F) for the other two bonds. F-F coupling constants arise in these mols. when the two C-F bonds are ortho, meta, or para. Values of ³J(F-F) are relatively large and neg., whereas values of ⁵J(F-F) are relatively large and pos. ⁴J(F-F) may be pos. or neg. and large or small. The value of this coupling constant depends on the nature of the atom that links the two C-F bonds and the number and positions of N atoms in the ring. The calculations carried out in this study at a reliable level of theory give values for one-bond C-F and n-bond F-F spin-spin coupling constants for the fluoroazines that are not available exptl. In addition, the patterns that describe the changes that occur in these mols. provide a basis for predicting their values in larger, related systems in the absence of exptl. data and direct calculations In the experiment, the researchers used many compounds, for example, 3,6-Difluoropyridazine (cas: 33097-39-1HPLC of Formula: 33097-39-1).

3,6-Difluoropyridazine (cas: 33097-39-1) belongs to pyridazine derivatives. Pyridazine and phthalazine have quite different spectroscopic properties compared with their isomers, pyrazine and quinoxaline. Pyridazine and derivatives coordinate readily with transition metals to form complexes and catalysts with synthetic utility.HPLC of Formula: 33097-39-1

Referemce:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

Hydrophobicity parameters determined by reversed-phase liquid chromatography. IX. Relationship between capacity factor and water-octanol partition coefficient of monosubstituted pyrimidines was written by Yamagami, Chisako;Yokota, Miho;Takao, Narao. And the article was included in Chemical & Pharmaceutical Bulletin in 1994.Electric Literature of C5H6N2O This article mentions the following:

The capacity factors, k’, of 2- and 5-substituted pyrimidines were determined by reversed-phase high performance liquid chromatog. (RPLC). The log k’ values were correlated with log P by using correction terms for the hydrogen-bond effects of the aza functions of the diazine ring and the substituent. By analogy with the case of the pyrazine series previously studied, a correlation equation with indicator variables categorizing the type and strength of the substituent hydrogen-bonding, and the elec. constant of substituents as addnl. parameters was obtained to describe the correlation between log k’ and log P. Suitable mobile-phase conditions to predict reliable log P values are proposed. In the experiment, the researchers used many compounds, for example, 3-Methoxypyridazine (cas: 19064-65-4Electric Literature of C5H6N2O).

3-Methoxypyridazine (cas: 19064-65-4) belongs to pyridazine derivatives. The pyridazine structure is also found within the structure of several drugs such as cefozopran, cadralazine, minaprine, pipofezine, and hydralazine. Pyridazine and derivatives coordinate readily with transition metals to form complexes and catalysts with synthetic utility.Electric Literature of C5H6N2O

Referemce:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

Pyridazines. LXXV. Quaternary and mesoionic s-triazolo[4,3-b]pyridazines was written by Langof, I.;Stanovnik, B.;Tisler, M.. And the article was included in Croatica Chemica Acta in 1975.Application In Synthesis of 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one This article mentions the following:

The triazolopyridazine I (R1 = MeO) was prepared from I (R1 = Cl) and MeONa. II (R = Ph, R1 = Cl, OH, OMe, R2 = H, X = ClO4; R = H, R1 = OMe, R2 = H, X = iodo; R = Ph, Cl, R1 = R2 = H,; X = ClO4; R = R1 = R2 = Cl, X = ClO4) and III were prepared by quaternization of the triazolopyridazines. II (R = Ph, R1 = Cl, R2 = H, X = iodo) and KOH gave IV. In the experiment, the researchers used many compounds, for example, 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one (cas: 33050-32-7Application In Synthesis of 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one).

6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one (cas: 33050-32-7) belongs to pyridazine derivatives. Pyridazines is a six-membered nitrogen-containing significant heterocycle. It has received considerable interest because of its useful applications as natural products, pharmaceuticals, and various bioactive molecules. Specifically, the pyridazine moiety is an important structural feature of various pharmacologically important compounds with activities like antimicrobial, analgesic, anti-inflammatory, antiplatelet, anticancer, antisecretory, antiulcer, antidepressant, cardiotonic, vasodilator, antiarrhythmic, and hypocholesterolaemic.Application In Synthesis of 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Referemce:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

NMR studies on σ-adducts of heterocyclic systems with nucleophiles. (Part VIII). Carbon-13-NMR data of pyridazines and some of their covalent amination products. (Part IV) was written by Klinge, D. E.;Van der Plas, H. C.;Van Veldhuizen, A.. And the article was included in Recueil des Travaux Chimiques des Pays-Bas in 1976.Product Details of 19064-65-4 This article mentions the following:

13C NMR data of several 3-mono- and 3,6-disubstituted pyridazines, 3-, 4-, and 6-mono- and 3,6-disubstituted pyridazine 1-oxides, and 4-nitro-3,6-disubstituted pyridazine 1-oxides are reported. 13C substituent effects of some substituents in the 3-, 4-, and 6-position of the pyridazine ring and that of the N-oxide function are calculated The 13C NMR spectra of the σ-adducts of 4-nitro-3,6-disubstituted pyridazine 1-oxides with liquid NH3 are described. In the experiment, the researchers used many compounds, for example, 3-Methoxypyridazine (cas: 19064-65-4Product Details of 19064-65-4).

3-Methoxypyridazine (cas: 19064-65-4) belongs to pyridazine derivatives. Pyridazine-based compounds continued to be a great source of biologically active compounds as evidenced by the number of publications which emerged in 2021. In the past decade, X-ray data were reported with regard to the characterization and structural elucidation of a number of pyridazine-metal complexes, including pyridazine ligands with zinc, nickel, copper, cadmium and ruthenium.Product Details of 19064-65-4

Referemce:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

Selectivity and Physicochemical Optimization of Repurposed Pyrazolo[1,5-b]pyridazines for the Treatment of Human African Trypanosomiasis was written by Tear, Westley F.;Bag, Seema;Diaz-Gonzalez, Rosario;Ceballos-Perez, Gloria;Rojas-Barros, Domingo I.;Cordon-Obras, Carlos;Perez-Moreno, Guiomar;Garcia-Hernandez, Raquel;Martinez-Martinez, Maria Santos;Ruiz-Perez, Luis Miguel;Gamarro, Francisco;Gonzalez Pacanowska, Dolores;Caffrey, Conor R.;Ferrins, Lori;Manzano, Pilar;Navarro, Miguel;Pollastri, Michael P.. And the article was included in Journal of Medicinal Chemistry in 2020.Related Products of 19064-65-4 This article mentions the following:

From a high-throughput screen of 42 444 known human kinases inhibitors, a pyrazolo[1,5-b]pyridazine scaffold was identified to begin optimization for the treatment of human African trypanosomiasis. Previously reported data for analogous compounds against human kinases GSK-3β, CDK-2, and CDK-4 were leveraged to try to improve the selectivity of the series, resulting in 23a which showed selectivity for T. b. brucei over these three human enzymes. In parallel, properties known to influence the absorption, distribution, metabolism, and excretion (ADME) profile of the series were optimized resulting in 20g being progressed into an efficacy study in mice. Though 20g showed toxicity in mice, it also demonstrated CNS penetration in a PK study and significant reduction of parasitemia in four out of the six mice. In the experiment, the researchers used many compounds, for example, 3-Methoxypyridazine (cas: 19064-65-4Related Products of 19064-65-4).

3-Methoxypyridazine (cas: 19064-65-4) belongs to pyridazine derivatives. Pyridazines is a six-membered nitrogen-containing significant heterocycle. It has received considerable interest because of its useful applications as natural products, pharmaceuticals, and various bioactive molecules. Pyridazine can act as a hydrogen bond acceptor to improve the physicochemical properties of drug molecules by increasing their water solubility, and has a high affinity for complexing with targets due to its dipole moment.Related Products of 19064-65-4

Referemce:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

Incorporation of Hydrogen-Bonding Functionalities into the Second Coordination Sphere of Iron-Based Water-Oxidation Catalysts was written by Hoffert, Wesley A.;Mock, Michael T.;Appel, Aaron M.;Yang, Jenny Y.. And the article was included in European Journal of Inorganic Chemistry in 2013.Recommanded Product: 27349-66-2 This article mentions the following:

Energy storage and conversion schemes based on environmentally benign chem. fuels will require the discovery of faster, cheaper, and more robust catalysts for the oxygen-evolution reaction (OER). Although the incorporation of pendant bases into mol. catalysts for hydrogen production and use led to enhanced turnover frequencies, the analogous incorporation of pendant bases into mol. catalysts for water oxidation has received little attention. Herein, the syntheses, structures, and catalytic activities of new iron complexes with pendant bases are reported. Of these new complexes, [Fe(L¹)]²⁺ {L¹ = N,N’-dimethyl-N,N’-bis(pyridazin-3-ylmethyl)ethane-1,2-diamine} is the most active catalyst. Initial turnover frequencies of 141 and 24 h^-1 were measured by using ceric ammonium nitrate at pH 0.7 and sodium periodate at pH 4.7, resp. These results suggest that the incorporation of pendant bases into mol. catalysts for water oxidation might be an effective strategy that can be considered in the development of new catalysts for the OER, but will require the careful balance of many factors. In the experiment, the researchers used many compounds, for example, 3-(Chloromethyl)pyridazine hydrochloride (cas: 27349-66-2Recommanded Product: 27349-66-2).

3-(Chloromethyl)pyridazine hydrochloride (cas: 27349-66-2) belongs to pyridazine derivatives. The pyridazine structure is a popular pharmacophore which is found within a number of herbicides such as credazine, pyridafol and pyridate. Pyridazine is bioavailable (especially in the CNS) and can reduce toxicity. Pyridazine is a component of several drug molecules, and the pyridazine pharmacophore has contributed to a variety of pharmacologically active compounds.Recommanded Product: 27349-66-2

Referemce:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

Reaction of methoxy-N-heteroaromatics with phenylacetonitrile under basic conditions was written by Yamanaka, Hiroshi;Ohba, Setsuya. And the article was included in Heterocycles in 1990.COA of Formula: C5H6N2O This article mentions the following:

The monomethoxy derivatives (I) of various π-electron deficient N-heteroaromatics reacted with PhCH₂CN in THF in the presence of NaH to give α-phenyl-N-heteroareneacetonitriles in 45-78% yields. Other active methylene compounds, e.g., NCCH₂CO₂Et or NCCH₂CN were less reactive towards (I) under similar conditions. The synthesis of benzoyl-N-heteroaromatics by the air oxidation of α-phenyl-N-heteroareneacetonitriles is also described. In the experiment, the researchers used many compounds, for example, 3-Methoxypyridazine (cas: 19064-65-4COA of Formula: C5H6N2O).

3-Methoxypyridazine (cas: 19064-65-4) belongs to pyridazine derivatives. Pyridazine-based compounds continued to be a great source of biologically active compounds as evidenced by the number of publications which emerged in 2021. The activity depends upon the changes of substituted groups in the pyridazine ring system resulting in different biological activities. In addition, the natural pyrimidine bases uracil, thymine, and cytosine, which are constituents of the nucleic acids, are found to be the most important naturally occurring diazines.COA of Formula: C5H6N2O

Referemce:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

3-Benzyloxy-6-fluoropyridazine was written by Hu, Fang Zhong;Zhang, Min;Song, Hai Bin;Zou, Xiao Mao;Yang, Hua Zheng. And the article was included in Acta Crystallographica, Section E: Structure Reports Online in 2005.Name: 3,6-Difluoropyridazine This article mentions the following:

The title mol., C₁₁H₉FN₂O, was synthesized from 3,6-difluoropyridazine, benzyl alc. and NaOH in MeCN under reflux. Crystallog. data are given. The asym. unit contains two independent mols. with nearly identical geometry. In the crystal structure, the mols. are linked by weak intermol. C-H···F H bonds and C-H···π interactions. In the experiment, the researchers used many compounds, for example, 3,6-Difluoropyridazine (cas: 33097-39-1Name: 3,6-Difluoropyridazine).

3,6-Difluoropyridazine (cas: 33097-39-1) belongs to pyridazine derivatives. The pyridazine structure is also found within the structure of several drugs such as cefozopran, cadralazine, minaprine, pipofezine, and hydralazine. Pyridazine is bioavailable (especially in the CNS) and can reduce toxicity. Pyridazine is a component of several drug molecules, and the pyridazine pharmacophore has contributed to a variety of pharmacologically active compounds.Name: 3,6-Difluoropyridazine

Referemce:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

Synthesis and herbicidal activity of 3-(substituted benzyloxy)-6-(substituted amino)pyridazines was written by Hu, Fang-Zhong;Zhang, Min;Zhu, You-Quan;Zou, Xiao-Mao;Liu, Bin;Yang, Hua-Zheng. And the article was included in Youji Huaxue in 2007.Quality Control of 3,6-Difluoropyridazine This article mentions the following:

A series of new 3-(substituted benzyloxy)-6-(substituted amino)pyridazines were synthesized through the reaction of 3-(substituted benzyloxy)-6-fluoropyridazines with the solution of dimethylamine, morpholine or piperidine. The title compounds were identified by IR, ¹H NMR spectra and elemental analyses. Preliminary bioassay showed that some of them had certain extent herbicidal activities, and the structure-activity relationship was also discussed. In the experiment, the researchers used many compounds, for example, 3,6-Difluoropyridazine (cas: 33097-39-1Quality Control of 3,6-Difluoropyridazine).

3,6-Difluoropyridazine (cas: 33097-39-1) belongs to pyridazine derivatives. Pyridazines is a six-membered nitrogen-containing significant heterocycle. It has received considerable interest because of its useful applications as natural products, pharmaceuticals, and various bioactive molecules. The unsubstituted pyridazines are more resistant to eletrophilic substitution due to the nature of withdrawal of electron density from the ring by two heteroatoms, while the related electron deficiency of the ring makes pyridazine more easily attacked by nucleophiles.Quality Control of 3,6-Difluoropyridazine

Referemce:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

Synthesis and herbicidal activity of 3-(benzyloxy)-6-fluoropyridazine derivatives was written by Zhang, Min;Hu, Fang-Zhong;Zhu, You-Quan;Zou, Xiao-Mao;Liu, Bin;Yang, Hua-Zheng. And the article was included in Youji Huaxue in 2007.Product Details of 33097-39-1 This article mentions the following:

A series of novel 3-(un)substituted benzyloxy-6-fluoropyridazine derivatives was synthesized by a reaction of various benzyl alcs. with 3,6-difluoropyridazine in CH₃CN catalyzed by NaOH. Their structures were identified by ¹H NMR, IR spectra and elemental anal. Preliminary bioassay showed that all of them possessed herbicidal activity to some extent against Brassica napus (rape) and Echinochloa crus-galli (barnyard grass). Their structure-activity relationship was discussed. In the experiment, the researchers used many compounds, for example, 3,6-Difluoropyridazine (cas: 33097-39-1Product Details of 33097-39-1).

3,6-Difluoropyridazine (cas: 33097-39-1) belongs to pyridazine derivatives. Pyridazines are rare in nature, possibly reflecting the scarcity of naturally occurring hydrazines, common building blocks for the synthesis of these heterocycles. The unsubstituted pyridazines are more resistant to eletrophilic substitution due to the nature of withdrawal of electron density from the ring by two heteroatoms, while the related electron deficiency of the ring makes pyridazine more easily attacked by nucleophiles.Product Details of 33097-39-1

Referemce:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem