Pyridine-derivatives

Twisted Push-Pull Alkenes Bearing Geminal Cyclicdiamino and Difluoroaryl Substituents was written by Kundu, Abhinanda;Chandra, Shubhadeep;Mandal, Debdeep;Neuman, Nicolas I.;Mahata, Alok;Anga, Srinivas;Rawat, Hemant;Pal, Sudip;Schulzke, Carola;Sarkar, Biprajit;Chandrasekhar, Vadapalli;Jana, Anukul. And the article was included in Journal of Organic Chemistry in 2021.Computed Properties of C5F5N The following contents are mentioned in the article:

The systematic combination of N-heterocyclic olefins (NHOs) with fluoroarenes resulted in twisted push-pull alkenes. These alkenes carry electron-donating cyclicdiamino substituents and two electron-withdrawing fluoroaryl substituents in the geminal positions. The synthetic method can be extended to a variety of substituted push-pull alkenes by varying the NHO as well as the fluoroarenes. Solid-state mol. structures of these mols. reveal a notable elongation of the central C-C bond and a twisted geometry in the alkene motif. Absorption properties were investigated with UV-vis spectroscopy. The redox properties of the twisted push-pull alkenes were probed with electrochem. as well as UV-vis/NIR and EPR spectroelectrochem., while the electronic structures were computationally evaluated and validated. This study involved multiple reactions and reactants, such as 2,3,4,5,6-Perfluoropyridine (cas: 700-16-3Computed Properties of C5F5N).

2,3,4,5,6-Perfluoropyridine (cas: 700-16-3) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ路mol鈭? in pyridine vs. 150 kJ路mol鈭? in benzene). Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C鈥揌 in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Computed Properties of C5F5N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

A DFT study of the active role of the phosphate group of an internal aldimine in a transamination reaction was written by Yamabe, Shinichi;Tsuchida, Noriko;Yamazaki, Shoko. And the article was included in Organic & Biomolecular Chemistry in 2022.Name: (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate The following contents are mentioned in the article:

A transamination reaction from an internal aldimine ([PLP]) and (S)-alanine to pyridoxamine phosphate (PMP) and pyruvic acid was investigated by DFT calculations As [PLP], a model where the lysine (-Lys) part was approximated by -CH[-NH-C(=O)-CH₃]-C(=O)-NH-CH₃ was adopted. (H₂O)₄ was also included to trace reaction paths involving proton transfers. 13 elementary processes were obtained. For (the external aldimine 鈫?quinoid), (quinoid 鈫?ketimine) and (ketimine 鈫?carbinol amine) processes, the water dimer was found to connect a phosphate-group oxygen with the moving proton. The connection promoted the Grotthuss-type proton transfer in transition states. It was revealed that the phosphate group is not a mere substituent but has the central role in the transfer. This study involved multiple reactions and reactants, such as (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate (cas: 54-47-7Name: (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate).

(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate (cas: 54-47-7) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of 鈭?8.7 脳 10鈭? cm3路mol鈭?.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ路mol鈭? in the liquid phase and 140.4 kJ路mol鈭? in the gas phase. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Name: (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

A DFT study of the active role of the phosphate group of an internal aldimine in a transamination reaction was written by Yamabe, Shinichi;Tsuchida, Noriko;Yamazaki, Shoko. And the article was included in Organic & Biomolecular Chemistry in 2022.Synthetic Route of C8H10NO6P The following contents are mentioned in the article:

A transamination reaction from an internal aldimine ([PLP]) and (S)-alanine to pyridoxamine phosphate (PMP) and pyruvic acid was investigated by DFT calculations As [PLP], a model where the lysine (-Lys) part was approximated by -CH[-NH-C(=O)-CH₃]-C(=O)-NH-CH₃ was adopted. (H₂O)₄ was also included to trace reaction paths involving proton transfers. 13 elementary processes were obtained. For (the external aldimine 鈫?quinoid), (quinoid 鈫?ketimine) and (ketimine 鈫?carbinol amine) processes, the water dimer was found to connect a phosphate-group oxygen with the moving proton. The connection promoted the Grotthuss-type proton transfer in transition states. It was revealed that the phosphate group is not a mere substituent but has the central role in the transfer. This study involved multiple reactions and reactants, such as (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate (cas: 54-47-7Synthetic Route of C8H10NO6P).

(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate (cas: 54-47-7) belongs to pyridine derivatives. Pyridine has a conjugated system of six 蟺 electrons that are delocalized over the ring. The molecule is planar and, thus, follows the H眉ckel criteria for aromatic systems. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C鈥揌 in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Synthetic Route of C8H10NO6P

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Formation of non-natural 伪,伪-disubstituted amino esters via catalytic Michael addition was written by Teegardin, Kip A.;Gotcher, Lacey;Weaver, Jimmie D.. And the article was included in Organic Letters in 2018.COA of Formula: C5F5N The following contents are mentioned in the article:

The enolate monoanion of amino esters is explored, and the first catalytic Michael addition of 伪-amino esters is demonstrated. These studies indicate that the acidity of the 伪C-H is the primary factor determining reactivity. Thus, polyfluorophenylglycine amino esters yield novel 伪-amino esters in the presence of a catalytic amount of a guanidine-derived base and Michael acceptors. Reactivity requires an acidic N-H, which is accomplished using common protecting groups such as N-Bz, N-Boc, and N-Cbz. Calculations and labeling experiments provide insight into the governing principles in which a key C-to-N proton transfer occurs, resulting in an expansion of the scope to include a number of natural amino esters. The study culminates with a late-stage functionalization of peptidic 纬-secretase inhibitor, DAPT. This study involved multiple reactions and reactants, such as 2,3,4,5,6-Perfluoropyridine (cas: 700-16-3COA of Formula: C5F5N).

2,3,4,5,6-Perfluoropyridine (cas: 700-16-3) belongs to pyridine derivatives. Pyridine has a conjugated system of six 蟺 electrons that are delocalized over the ring. The molecule is planar and, thus, follows the H眉ckel criteria for aromatic systems. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. COA of Formula: C5F5N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

A Study of Kamlet-Taft 尾 and 蟺* Scales of Solvent Basicity and Polarity/Polarizability Using Computationally Derived Molecular Properties was written by Waghorne, W. Earle. And the article was included in Journal of Solution Chemistry in 2020.Safety of 2,3,4,5,6-Perfluoropyridine The following contents are mentioned in the article:

The Kamlet and Taft solvent basicity parameter, 尾, and solvent polarity/polarizability parameter, 蟺*, were analyzed in terms of properties of the solvent mols. derived from computational chem. The anal. of 尾, using a larger data set, confirms earlier conclusions that, for aprotic solvents, the basicity is determined by the partial charge on the most neg. atom of the solvent mol. and by the energy of the highest energy MO associated with the donor site. For alcs. and nitrogen bases containing N-H moieties, the 尾 values deviate systematically from those for the non-hydrogen bonding solvents. Anal. of the polarity/polarizability parameter, 蟺*, shows that it depends directly on the dipole moment, and quadrupolar amplitude of the solvent and on the energy of the HOMO, but decreases linearly with increasing solvent polarizability. This study involved multiple reactions and reactants, such as 2,3,4,5,6-Perfluoropyridine (cas: 700-16-3Safety of 2,3,4,5,6-Perfluoropyridine).

2,3,4,5,6-Perfluoropyridine (cas: 700-16-3) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of 鈭?8.7 脳 10鈭? cm3路mol鈭?.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ路mol鈭? in the liquid phase and 140.4 kJ路mol鈭? in the gas phase. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C鈥揌 in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Safety of 2,3,4,5,6-Perfluoropyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Developing Comprehensive Computational Parameter Sets To Describe the Performance of Pyridine-Oxazoline and Related Ligands was written by Guo, Jing-Yao;Minko, Yury;Santiago, Celine B.;Sigman, Matthew S.. And the article was included in ACS Catalysis in 2017.Category: pyridine-derivatives The following contents are mentioned in the article:

The applicability of computational descriptors extracted from metal pyridine-oxazoline complexes to relate both site and enantioselectivity to structural diversity was investigated. A group of computationally derived features (e.g., metal NBO charges, steric descriptors, torsion angles) were acquired for a library of pyridine-oxazoline ligands. Correlation studies were employed to examine steric/electronic features described by each descriptor, followed by application of the said descriptors in modeling the results of two reaction types, the site-selective redox-relay Heck reaction and the enantioselective Carroll rearrangement, affording simple, well-validated models. Through exptl. validation and extrapolation, parameters derived from ground state metal complexes were found to be advantageous over those from the free ligand. This study involved multiple reactions and reactants, such as 4-Chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)pyridine (cas: 1423027-73-9Category: pyridine-derivatives).

4-Chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)pyridine (cas: 1423027-73-9) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity was written by Nguyen, Minh Tho;Gusev, Dmitry;Dmitrienko, Anton;Gabidullin, Bulat M.;Spasyuk, Denis;Pilkington, Melanie;Nikonov, Georgii I.. And the article was included in Journal of the American Chemical Society in 2020.Formula: C5F5N The following contents are mentioned in the article:

The germylone dimNHCGe (5, dimNHC = diimino N-heterocyclic carbene) was successfully prepared via the reduction of the germanium cation [dimNHCGeCl]⁺ with KC₈. The mol. structure of 5 was unambiguously established by both NMR spectroscopy and single-crystal X-ray diffraction. The reactivity of 5 was investigated, revealing that it undergoes oxidative addition of HCl, CH₃I, and PhI, accompanied by an unusual migration of the H, Me, and Ph groups from germanium to the carbene ligand. Related chem. was also observed with C₅F₅N, which results in the migration of the fluorinated pyridine moiety to the carbene ligand. Compound 5 also undergoes cycloaddition with tetrachloro-o-benzoquinone to afford a Ge(IV) adduct. This study involved multiple reactions and reactants, such as 2,3,4,5,6-Perfluoropyridine (cas: 700-16-3Formula: C5F5N).

2,3,4,5,6-Perfluoropyridine (cas: 700-16-3) belongs to pyridine derivatives. Pyridine has a conjugated system of six 蟺 electrons that are delocalized over the ring. The molecule is planar and, thus, follows the H眉ckel criteria for aromatic systems. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C鈥揌 in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Formula: C5F5N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Fluoromaticity: The Molecular Orbital Contributions of Fluorine Substituents to the 蟺-Systems of Aromatic Rings was written by Fuhrer, Timothy J.;Houck, Matthew;Iacono, Scott T.. And the article was included in ACS Omega in 2021.Safety of 2,3,4,5,6-Perfluoropyridine The following contents are mentioned in the article:

The addition of fluorine atoms to an aromatic ring brings about an addnl. set of 蟺-bonding and antibonding orbitals culminating after the addition of the sixth fluorine with a new set of 蟺-aromatic-like orbitals that affect the mol. in a way that we will refer to hereafter as “fluoromaticity”. Depending on the number and position of the fluorine atoms, the contributed 蟺-orbitals can even further stabilize the ring leading to smaller bond lengths within the ring and higher resistance to addition reactions. This added ring stability partially explains the high thermostability and chem. resistance found in polymers containing fluorinated aromatics in their architecture. A similar MO effect is seen with the addition of other halogen atoms to aromatic rings, though to a much smaller degree and not resulting in the addnl. ring stability. This study involved multiple reactions and reactants, such as 2,3,4,5,6-Perfluoropyridine (cas: 700-16-3Safety of 2,3,4,5,6-Perfluoropyridine).

2,3,4,5,6-Perfluoropyridine (cas: 700-16-3) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Safety of 2,3,4,5,6-Perfluoropyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis of fluorinated nitrogen heterocycles as new drug scaffolds was written by Hasoubah, Amani Hasan. And the article was included in Journal of Basic and Environmental Sciences in 2021.Related Products of 700-16-3 The following contents are mentioned in the article:

The amine compound (N-(2-bromophenyl)-4-methyl-N-(perfluoropyridin-4-yl)benzenesulfonamide) was successfully synthesized which was needed to find a strategy to synthesize fluorinated nitrogen heterocycles. The aim of this study was to made a cyclized product by treating the amine compound with different reagents to effect metalation in the bromophenyl group which could result in SNAr reaction in the fluorinated ring. However, treating the target compound with Bu-Li or Mg interestingly gave two different compounds which had lost the sulfonyl group. In addition, the reaction of (N-(2-bromophenyl)-4-methyl-N-(perfluoropyridin-4-yl)benzenesulfonamide) with Cu and 2- bromophenyltetrafluoropyridinamine with Cu was unsuccessful due to the recovery of the starting material as a major product and a minor percentage of new compounds had formed. This study involved multiple reactions and reactants, such as 2,3,4,5,6-Perfluoropyridine (cas: 700-16-3Related Products of 700-16-3).

2,3,4,5,6-Perfluoropyridine (cas: 700-16-3) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. Pyridine derivatives are also useful as small-molecule 伪-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Related Products of 700-16-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Tetrafluoropyridyl (TFP): a general phenol protecting group readily cleaved under mild conditions was written by Brittain, William D. G.;Cobb, Steven L.. And the article was included in Organic & Biomolecular Chemistry in 2019.Category: pyridine-derivatives The following contents are mentioned in the article:

Phenols are extremely valuable building blocks in the areas of pharmaceuticals, natural products, materials and catalysts. In order to carry out modifications on phenols, the phenolic oxygen is routinely protected to prevent unwanted side reactions. Presently many of the protecting groups available can require harsh conditions, specialist equipment, expensive or air/moisture-sensitive reagents to install and remove. Here the authors introduce the use of the tetrafluoropyridyl (TFP) group as a general protecting group for phenols. TFP can be installed in one step with no sensitivity to water or air, and it is stable under a range of commonly employed reaction conditions including acid and base. The TFP protecting group is readily cleaved under mild conditions with quant. conversion to the parent phenol, observed in many cases in <1 h. This study involved multiple reactions and reactants, such as 2,3,4,5,6-Perfluoropyridine (cas: 700-16-3Category: pyridine-derivatives).

2,3,4,5,6-Perfluoropyridine (cas: 700-16-3) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem