Category: 6554-61-6

Semin, G. K.; Babushkina, T. A.; Mamaev, V. P.; Krivopalov, V. P. published the artcile< Chlorine-35 nuclear quadrupole resonance in chloropyrimidines>, Category: pyrimidines, the main research area is nuclear quadrupole resonance chloropyrimidine.

The nuclear quadrupole resonance (NQR) spectra of 35Cl in 2- and 5-chloro-, 2,4-, 4,6-, 4,5-, and 2,5-dichloro-, 4,5,6-, 2,4,5-, and 2,4,6-trichloropyrimidines and tetrachloropyrimidine were measured at 77°K and calculated by the published additivity method to study the electron d. distribution on C atom of the ring and effect of the substituents. The additivity method of calculating the NQR frequencies of 35Cl is valid for the chloro substituted pyrimidines. It was used to determine electron d. distribution on various C atoms in the pyrimidine ring. The relative role of various mechanisms of the transmission throughout the ring of the effect of substituents is discussed.

Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Khimicheskikh Nauk published new progress about Electron configuration. 6554-61-6 belongs to class pyrimidines, and the molecular formula is C4H2Cl2N2, Category: pyrimidines.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Khamouli, Saida; Belaidi, Salah; Zinebalmi; Medjahed, Sihem; Belaidi, Houmam published the artcile< Property/activity relationships and drug likeness for pyrimidine derivatives as serine/threonine protein kinase B inhibitors>, Related Products of 6554-61-6, the main research area is pyrimidine derivative serine threonine protein kinase inhibitor drug property.

The equilibrium geometry and electronic structures of the pyrimidine, were determined and analyzed with ab initio/HF, and DFT method. In the present work, the calculated values, namely net charges, MESP contours/surfaces has also been drawn to explain the electronic activity of Pyrimidine. QSAR properties, Lipinski′s parameters, Lipophilic Efficiency (LipE), are reported and discussed to understand the biol. activity of the Pyrimidine Derivatives

Journal of Bionanoscience published new progress about Absorption. 6554-61-6 belongs to class pyrimidines, and the molecular formula is C4H2Cl2N2, Related Products of 6554-61-6.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Tupitsyn, I. F.; Zatsepina, N. N.; Kolodina, N. S.; Kirova, A. V. published the artcile< Nuclear quadrupole resonance and infrared spectroscopic studies of electron interactions in polysubstituted azines>, HPLC of Formula: 6554-61-6, the main research area is NQR nitrogen heterocycle chlorine; pyridine pyrimidine NQR IR; substituent effect NQR IR pyridine.

35Cl NQR frequencies (νCl) and integral intensities (A) of ir absorption bands of stretching vibrations of aromatic C-H bonds of polysubstituted N heterocycles, e.g., chloropyridines, chloropyrimidines, were correlated with inductive and resonance substituent constants Electronic effects of the heteroatoms and substituents on νCl and A were additive.

Reaktsionnaya Sposobnost Organicheskikh Soedinenii published new progress about IR spectra. 6554-61-6 belongs to class pyrimidines, and the molecular formula is C4H2Cl2N2, HPLC of Formula: 6554-61-6.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Papavassiliou, G. C.; Yiannopoulos, S. Y.; Zambounis, J. S. published the artcile< Bis(diazino)tetrathiafulvalenes and similar π-donors>, Safety of 4,5-Dichloropyrimidine, the main research area is tetrathiafulvalene bisdiazino; bispyrazinotetrathiafulvalene preparation charge transfer conductivity.

Bis(pyrazino)tetrathiafulvalene (I), bis(quinoxalino)tetrathiafulvalene, bis(pyrimidino)tetrathiafulvalenes, bis(pyridazino)tetrathiafulvalenes, bis(pyrazino)tetraselenafulvalene, and bis(quinoxalino) tetraselenafulvalene were prepared These compounds were found to be π-donors and gave charge transfer salts. The perchlorate salt of I was found to be a 3-D conductor. Thus, 2,3-dimercaptopyrazine was treated with SOCl2 to give the dithiocarbonate II, which was treated with (EtO)3P to give I.

Molecular Crystals and Liquid Crystals published new progress about Electric conductivity. 6554-61-6 belongs to class pyrimidines, and the molecular formula is C4H2Cl2N2, Safety of 4,5-Dichloropyrimidine.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Chesterfield, J.; McOmie, J. F. W.; Sayer, E. R. published the artcile< Pyrimidines. VIII. Halo- and hydrazinopyrimidines>, SDS of cas: 6554-61-6, the main research area is .

Cl (1.5 g.) was bubbled into 2.0 g. 4-hydroxypyrimidine in 15 ml. glacial HOAc, the HCl salt collected and dissolved in H2O, and NaHCO3 added until the solution was faintly alk. to give 0.8 g. 5-Cl derivative (I), m. 177-9° (from H2O). 4-Hydroxypyrimidine was likewise brominated to give the HBr salt of the 5-Br derivative, m. 243-6° (decomposition) (from EtOH), which recrystallized from H2O yielded the free base (II), m. 199-200°. 2-Amino-5-bromopyrimidine (2 g.) was diazotized (with H2SO4, NaNO2) to yield 0.5 g. 2-HO analog (III), m. 241-3° (from H2O). A mixture of 3 g. II, 22 ml. POCl3, and 0.7 ml. PhNMe2 were heated 3 hrs., cooled, poured onto ice, and extracted with Et2O to obtain the 4-Cl analog, b16 87°. In the same way I was converted in 48% yield to 4,5-dichloropyrimidine, b34 82°, which, after a month changed to a bright yellow solid. Cl bubbled into a suspension of 5.6 g. uracil in 100 ml. H2O at 80-5° until the solid had dissolved and another precipitated yielded 4.0 g. 5-chlorouracil (IV), m. 314-18° (decomposition) (from H2O). Cl bubbled into a mixture of 5.0 g. uracil in 40 ml. H2O on a boiling H2O bath yielded 5,5-dichloro-5,6-dihydro-6-hydroxyuracil, m. 216-18° (slight decomposition) (from H2O). IV treated with POCl3 and PCl5 on a steam bath and then at 135-40° 24 hrs. and the mixture distilled gave 2,4,5-trichloropyrimidine, b3 73-4°. 4,6-Dihydroxypyrimidine (IVa) (12 g.) was brominated in HOAc, yielding 10.5 g. 5-Br derivative (V), m. 263-4° (decomposition) (from H2O). Iodine chloride in HOAc was added to a suspension of 5.6 g. IVa in HOAc, the mixture heated on a steam bath 2.5 hrs. and cooled, and the residue crystallized from H2O gave 3.8 g. 5-Cl derivative (VI), decomposing above 230°. V with POCl3 and PhNMe2 yielded 46% 5-bromo-4,6-dichloropyrimidine, m. 75-6°. Similarly, VI gave 77% 4,5,6-trichloropyrimidine (VII), m. 49-51°. EtOH was added to 3 g. 5-bromo-4-chloropyrimidine and 15 ml. aqueous NH3 (d. 0.88) to give a homogeneous solution; after 48 hrs., the precipitate was collected and recrystallized twice from H2O to give 41% 4-H2N analog, m. 208-10 ° (decomposition). In the same way, 4,5-dichloropyrimidine (VIII) gave 65% 4-H2N analog, m. 192-4°. A solution of 0.6 g. VIII and 0.4 g. thiourea in 25 ml. EtOH was boiled 1 hr., concentrated to 12 ml. and cooled to obtain 68% 4-HS analog, m. 212° (slight decomposition) (from EtOH). 2,4,5-Trichloropyrimidine (5.8 g.) was added slowly to a solution of NaOMe (from 5 g. Na and 100 ml. MeOH), the mixture boiled 15 min., cooled, and filtered, the filtrate saturated with CO2 and filtered, the residues extracted with Et2O, and the Et2O solution combined with the MeOH solution Distillation and sublimation at 100°/11 mm. gave 74% 5-chloro-2,4-dimethoxypyrimidine, m. 72-3°. 2-Methoxypyrimidine, N2H4.H2O, and MeOH were heated 2 hrs., the MeOH removed and the precipitate, which formed in a few days, recrystallized from MeOH-C6H6 to give 2-hydrazinopyrimidine, m. 108-10°, after thorough drying. 4-Methoxypyrimidine, was similarly converted to 55% 4-hydrazinopyrimidine, m. 132-4° (decomposition). N2H4.H2O was added gradually to 4,5-dichloropyrimidine in EtOH to give 38% 4-H2NNH analog, m. 190-2° (from H2O). Similarly, 5-bromo-4-chloropyrimidine yielded 48% 4-H2NNH analog, m. 185-7° (decomposition); 4-chloro-5-phenylpyrimidine gave slowly 54% 4-H2NNH analog, m. 140-1°; 4,6-dichloropyrimidine gave 34% 4-H2NNH analog, m. 177° (decomposition); 2,4,5-trichloropyrimidine yielded 62% 4-H2NNH analog, which turned black above 220°; and 2-chloro-4-phenylpyrimidine gave 25% 2-H2NNH analog, m. 115°. The hydrazinopyrimidines were bacteriologically inactive.

Journal of the Chemical Society published new progress about 6554-61-6. 6554-61-6 belongs to class pyrimidines, and the molecular formula is C4H2Cl2N2, SDS of cas: 6554-61-6.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Dekker, J. published the artcile< Effect of kinetin on powdery mildew>, COA of Formula: C4H2Cl2N2, the main research area is .

Kinetin (10-20 p.p.m.) solution completely checked the development of various varieties of powdery mildew on different plant leaves. The tests were made by floating leaf disks on the solutions Kinetin was ineffective against other fungi tested. The two components of kinetin (adenine and furfuryl alc.) showed no activity against powdery mildew, singly or in combination. However, out of about 80 purines and pyrimidines tested, 6-azauracil appeared highly active.

Nature (London, United Kingdom) published new progress about Mildew (plant disease). 6554-61-6 belongs to class pyrimidines, and the molecular formula is C4H2Cl2N2, COA of Formula: C4H2Cl2N2.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Kamada, Yusuke; Sakai, Nozomu; Sogabe, Satoshi; Ida, Koh; Oki, Hideyuki; Sakamoto, Kotaro; Lane, Weston; Snell, Gyorgy; Iida, Motoo; Imaeda, Yasuhiro; Sakamoto, Junichi; Matsui, Junji published the artcile< Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach>, Safety of 4,5-Dichloropyrimidine, the main research area is drug screening lymphoma protein interaction inhibitor.

B-cell lymphoma 6 (BCL6) is a transcriptional factor that expresses in lymphocytes and regulates the differentiation and proliferation of lymphocytes. Therefore, BCL6 is a therapeutic target for autoimmune diseases and cancer treatment. This report presents the discovery of BCL6-corepressor interaction inhibitors by using a biophysics-driven fragment-based approach. Using the surface plasmon resonance (SPR)-based fragment screening, we successfully identified fragment 1 (SPR KD = 1200 μM, ligand efficiency (LE) = 0.28), a competitive binder to the natural ligand BCoR peptide. Moreover, we elaborated 1 into the more potent compound 7 (SPR KD = 0.078 μM, LE = 0.37, cell-free protein-protein interaction (PPI) IC50 = 0.48 μM (ELISA), cellular PPI IC50 = 8.6 μM (M2H)) by a structure-based design and structural integration with a second high-throughput screening hit.

Journal of Medicinal Chemistry published new progress about Antitumor agents (potential). 6554-61-6 belongs to class pyrimidines, and the molecular formula is C4H2Cl2N2, Safety of 4,5-Dichloropyrimidine.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Homon, Anton A.; Hryshchuk, Oleksandr V.; Trofymchuk, Serhii; Michurin, Oleg; Kuchkovska, Yuliya; Radchenko, Dmytro S.; Grygorenko, Oleksandr O. published the artcile< Synthesis of 3-Azabicyclo[3.2.0]heptane-Derived Building Blocks via [3+2] Cycloaddition>, Application In Synthesis of 6554-61-6, the main research area is azabicyclo heptane derivative; cyclobuteneraboxylic acid ester cycloaddition.

An efficient approach to synthesis of various substituted 3-azabicyclo[3.2.0]heptane-derived building blocks based on [3+2] cycloaddition of cyclobut-1-eneraboxylic acid ester and in situ generated azomethine ylide was developed and applied on multigram scale. The utility of 1,3-disubstituted 3-azabicyclo[3.2.0]heptane scaffold was demonstrated by addnl. structural anal. using exit vector plot (EVP) tool, and tested in parallel synthesis of compound library.

European Journal of Organic Chemistry published new progress about [3+2] Cycloaddition reaction. 6554-61-6 belongs to class pyrimidines, and the molecular formula is C4H2Cl2N2, Application In Synthesis of 6554-61-6.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Regan, Collin F.; Pierre, Fabrice; Schwaebe, Michael K.; Haddach, Mustapha; Jung, Michael E.; Ryckman, David M. published the artcile< A facile synthesis of 5-halopyrimidine-4-carboxylic acid esters via a Minisci reaction>, Synthetic Route of 6554-61-6, the main research area is Minisci homolytic alkoxycarbonylation halopyrimidine; bromopyrimidinecarboxylate; pyrimidine halo Minisci homolytic alkoxycarbonylation.

This paper reports the synthesis of various 5-halopyrimidine-4-carboxylic acid esters via the Minisci homolytic alkoxycarbonylation of 5-halopyrimidines. The reaction was found to be highly regioselective, allowing the one-step synthesis of useful amounts (>10 g) of Et 5-bromopyrimidine-4-carboxylate where other methods proved difficult. Et 5-bromopyrimidine-4-carboxylate was used for the preparation of potent CK2 inhibitors including CX-5011. This work represents an interesting application of radical chem. for the preparation of pharmacol. active mols.

Synlett published new progress about Alkoxycarbonylation (Minisci homolytic). 6554-61-6 belongs to class pyrimidines, and the molecular formula is C4H2Cl2N2, Synthetic Route of 6554-61-6.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Bruening, Fabian; Lovelle, Lucie E. published the artcile< Highly regioselective organocatalytic SNAr amination of 2,4-dichloropyrimidine and related heteroaryl chlorides>, Synthetic Route of 6554-61-6, the main research area is heteroaryl chloride cyclic amine amination; aminopyrimidine regioselective preparation.

A highly efficient and regioselective method for the SNAr amination of 2,4-dichloropyrimidine with oxazolidin-2-one and related weakly nucleophilic amines, using sodium sulfinate and tetrabutylammonium bromide as catalysts, is disclosed. This strategy facilitates the synthesis of various aminopyrimidines, e.g., I, in a regio- and chemoselective manner. This approach was successfully used for the amination of various activated N-heteroaromatic substrates.

European Journal of Organic Chemistry published new progress about Amination (SNAr). 6554-61-6 belongs to class pyrimidines, and the molecular formula is C4H2Cl2N2, Synthetic Route of 6554-61-6.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia