Category: 36847-11-7

Wodynski, Artur published the artcileInterpretation of the Longitudinal 13C Nuclear Spin Relaxation and Chemical Shift Data for Five Bromoazaheterocycles Supported by Nonrelativistic and Relativistic DFT Calculations, Computed Properties of 36847-11-7, the main research area is longitudinal carbon nuclear spin relaxation chem shift bromoazaheterocycle.

The longitudinal relaxation times of 13C nuclei and NOE enhancement factors for 2-bromopyridine (1), 6-bromo-9-methylpurine (2), 3,5-dibromopyridine (3), 2,4-dibromopyrimidine (4), and 2,4,6-tribromopyrimidine (5) were measured at 25° and B0 = 11.7 T. The most important contributions to the overall relaxation rates of nonbrominated carbons, i.e., the relaxation rates due to the 13C-1H dipolar interactions and the shielding anisotropy mechanism, were separated out. For 3 and 5, addnl., the T2,q(14N) values were established from 14N NMR line widths. All of these data were used to determine rotational diffusion tensors for the studied mols. The measured saturation recovery curves of brominated carbons were decomposed into two components to yield relaxation times, which after proper corrections provided parameters characterizing the scalar relaxation of the 2nd kind for 13C nuclei of 79Br- and 81Br-bonded carbons. These parameters and theor. calculated quadrupole coupling constants for Br nuclei have allowed the values of 1-bond 13C-79Br spin-spin coupling constants to be calculated Independently, the coupling constants and magnetic shielding constants of the C nuclei were calculated theor. using the nonrelativistic and relativistic DFT methods F/6-311++G(2d,p)/PCM and so-ZORA/F/TZ2P/COSMO (F = BHandH or B3LYP), resp. The agreement between the exptl. and theor. values of these parameters is remarkably dependent on the theor. method used.

Journal of Physical Chemistry A published new progress about Magnetic relaxation (13C). 36847-11-7 belongs to class pyrimidines, name is 2,4,6-Tribromopyrimidine, and the molecular formula is C4HBr3N2, Computed Properties of 36847-11-7.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

White, James D. published the artcileTotal Synthesis of (-)-7-Epicylindrospermopsin, a Toxic Metabolite of the Freshwater Cyanobacterium Aphanizomenon ovalisporum, and Assignment of Its Absolute Configuration, Computed Properties of 36847-11-7, the main research area is epicylindrospermopsin total synthesis absolute configuration.

The Z and E nitrones II, prepared from condensation of the corresponding aldehyde and hydroxylamine, underwent intramol. dipolar cycloaddition to give substituted 1-aza-7-oxobicyclo[2.2.1] heptanes. Reductive N-O bond cleavage followed by carbonylation gave the cyclic urea in which inversion of the secondary alc. was effected via an oxidation-reduction sequence. After conversion of the p-bromobenzyl ether to the azide, activation of the cyclic urea as its O-methylisourea and reduction of the azide led to spontaneous cyclization to afford the tricyclic nucleus of cylindrospermopsin. Global deprotection, including hydrolysis of the 2,4-dimethoxypyrimidine appendage to a uracil, and then monosulfation of the resultant diol afforded a substance identical with natural (-)-7-epicylindrospermopsin (I). The asym. synthesis of (-)-7-epicylindrospermopsin defines its absolute configuration as 7S,8R,10S,12S,13R,14S.

Journal of Organic Chemistry published new progress about 1,3-Dipolar cycloaddition reaction, stereoselective. 36847-11-7 belongs to class pyrimidines, name is 2,4,6-Tribromopyrimidine, and the molecular formula is C4HBr3N2, Computed Properties of 36847-11-7.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Looper, Ryan E. published the artcileSyntheses of the cylindrospermopsin alkaloids, HPLC of Formula: 36847-11-7, the main research area is cylindrospermopsin alkaloid asym synthesis intramol dipolar cycloaddition; nitro aldol addition cylindrospermopsin alkaloid asym synthesis; reductive guanidinylation cylindrospermopsin alkaloid asym synthesis.

An intramol. 1,3-dipolar cycloaddition has efficiently constructed the A-ring portions of the cylindrospermopsin alkaloids. A nitro-aldol addition of an elaborated nitroalkane to a pyrimidine aldehyde followed by an intramol. reductive guanidinylation has enabled the syntheses of all three alkaloids in this family in 18-19 steps. The first asym. synthesis of cylindrospermopsin (I), unambiguously assigning its absolute configuration, was reported.

Tetrahedron published new progress about 1,3-Dipolar cycloaddition reaction, intramolecular. 36847-11-7 belongs to class pyrimidines, name is 2,4,6-Tribromopyrimidine, and the molecular formula is C4HBr3N2, HPLC of Formula: 36847-11-7.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Rezaei, Saghar published the artcileMono- and multifold C-C coupling reactions catalyzed by a palladium complex encapsulated in MIL-Cr as a three dimensional nano reactor, Computed Properties of 36847-11-7, the main research area is phenylboronic acid halobenzene chromium MOF encapsulated palladium Suzuki reaction; biaryl preparation green chem; styrene halobenzene chromium MOF encapsulated palladium Heck reaction; styrylbenzene preparation green chem; reusable chromium MOF encapsulated palladium complex catalyst preparation.

The organic palladium complex (trans-dichlorobis(4-iodoaniline-κN)palladium(II)) was encapsulated into a porous metal-organic framework MIL-Cr (Pd complex@MIL-Cr) using ship-in-a-bottle strategy. The novel catalyst as a three dimensional nanoreactor was fully characterized using different techniques such as XRD, BET, XPS, SEM, EDX, TEM and ICP. The Pd complex@MIL-Cr was isostructural to the parent MIL-Cr framework, with a high surface area and pore volume of ca. 1418 m2 g-1 and 0.87 cm3 g-1, resp. The nanoreactor was highly efficient in the catalytic conversion of aryl halides, showing extraordinarily higher activity than the homogeneous Pd counterparts. Surprisingly, high yields were achieved in Suzuki-Miyaura and Heck coupling reactions of chloroarenes bearing a wide range of substituents. Besides, this protocol could be extended to the cross-couplings of 2-bromo and 2,6-dibromopyridine with arylboronic acids in excellent yields at room temperature The Pd complex@MIL-Cr was also used as an efficient and convenient catalyst for the preparation of a series of C3-sym. mols. with benzene, pyridine or pyrimidine units as the central core. Moreover, the catalyst could be recovered easily and reused several times without any considerable loss of its catalytic activity. Investigation of the nature of the recovered catalyst showed that the catalyst was converted to Pd nanoparticles.

RSC Advances published new progress about Aryl alkenes Role: SPN (Synthetic Preparation), PREP (Preparation). 36847-11-7 belongs to class pyrimidines, name is 2,4,6-Tribromopyrimidine, and the molecular formula is C4HBr3N2, Computed Properties of 36847-11-7.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia