108-56-5Relevant academic research and scientific papers
New Polynuclear Manganese(II) Complexes with Orotic Acid and some of its Derivatives: Crystal Structures, Spectroscopic and Magnetic Studies
Nepveu, Francoise,Gaultier, Nicolas,Korber, Nikolaus,Jaud, Joel,Castan, Paule
, p. 4005 - 4014 (1995)
Three polynuclear manganese(II) complexes containing orotic acid (2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, H3L1) or one of its substituted derivatives 2L2) or 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid (H3L1)> have been synthesized and characterized by X-ray crystallography.UV/VIS and magnetic susceptibility measurements.Complex 1 consists of neutral 1)2(H2O)6> units, which form polymer chains along the z axis with a Mn(1)...Mn(2) distance in the unit cell of 5.628(1) Angstroem while the Mn(2)...Mn(2) distance in the chain is 4.715(1) Angstroem.Each unit cell of complex 2 contains one neutral centrosymmetric dimer 2)2(H2O)6> containing a short Mn...Mn distance and an antiferromagnetic exchange interaction is present.The experimental data were fitted to the susceptibility equations resulting from the Hamiltonian H = -2JS1S2 to give exchange parameter J = -1.3 cm-1 and g = 1.95.From EPR spectra of 2, the hyperfine interaction parameter A = -0.27 GHz and the zero-field splitting parameter D = +/-2.93 GHz have been calculated.Each unit cell of complex 3 consists of one dinuclear anion 3)2(H2O)4Cl2>2- and of one cation 2+.The Mn(1) and Mn(2) atoms and the water molecule of the cation 2+ are situated at inversion sites.The dinuclear anions are associated to form chains but the shortest Mn...Mn distance of 5.642(3) Angstroem is observed within the 3)2(H2O)4Cl2>2- unit between Mn(1) and Mn(2).
Impact of Stereo- And Regiochemistry on Energetic Materials
Barton, Lisa M.,Edwards, Jacob T.,Johnson, Eric C.,Bukowski, Eric J.,Sausa, Rosario C.,Byrd, Edward F. C.,Orlicki, Joshua A.,Sabatini, Jesse J.,Baran, Phil S.
supporting information, p. 12531 - 12535 (2019/08/26)
The synthesis, physical properties, and calculated performances of six stereo- and regioisomeric cyclobutane nitric ester materials are described. While the calculated performances of these isomers, as expected, were similar, their physical properties were found to be extremely different. By alteration of the stereo- and regiochemistry, complete tunability in the form of low- or high-melting solids, stand-alone melt-castable explosives, melt-castable explosive eutectic compounds, and liquid propellant materials was obtained. This demonstrates that theoretical calculations should not be the main factor in driving the design of new materials and that stereo- and regiochemistry matter in the design of compounds of potential relevance to energetic formulators.
Preparation method of 2-(4-fluorophenyl)pyrimidine derivative
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Paragraph 0020; 0021; 0022, (2018/03/26)
The invention discloses a preparation method of a 2-(4-fluorophenyl)pyrimidine derivative: 6-chloro-2-(4-fluorophenyl)pyrimidine-4-carboxylate. Diethyl oxalate is used as a starting raw material, andcondensation, cyclization, chlorination and esterification are performed for obtaining a target product. The compound is an important medical intermediate.
Pyrrolone Derivatives as Intracellular Allosteric Modulators for Chemokine Receptors: Selective and Dual-Targeting Inhibitors of CC Chemokine Receptors 1 and 2
Ortiz Zacarías, Natalia V.,Van Veldhoven, Jacobus P. D.,Portner, Laura,Van Spronsen, Eric,Ullo, Salviana,Veenhuizen, Margo,Van Der Velden, Wijnand J. C.,Zweemer, Annelien J. M.,Kreekel, Roy M.,Oenema, Kenny,Lenselink, Eelke B.,Heitman, Laura H.,Ijzerman, Adriaan P.
, p. 9146 - 9161 (2018/10/24)
The recent crystal structures of CC chemokine receptors 2 and 9 (CCR2 and CCR9) have provided structural evidence for an allosteric, intracellular binding site. The high conservation of residues involved in this site suggests its presence in most chemokine receptors, including the close homologue CCR1. By using [3H]CCR2-RA-[R], a high-affinity, CCR2 intracellular ligand, we report an intracellular binding site in CCR1, where this radioligand also binds with high affinity. In addition, we report the synthesis and biological characterization of a series of pyrrolone derivatives for CCR1 and CCR2, which allowed us to identify several high-affinity intracellular ligands, including selective and potential multitarget antagonists. Evaluation of selected compounds in a functional [35S]GTPγS assay revealed that they act as inverse agonists in CCR1, providing a new manner of pharmacological modulation. Thus, this intracellular binding site enables the design of selective and multitarget inhibitors as a novel therapeutic approach.
Preparation method for pyrimidine compound
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Paragraph 0020-0022, (2017/07/21)
The invention discloses a preparation method for a pyrimidine compound, i.e., 6-chloro-2-phenylpyrimidine-4-methylcarboxylate. According to the invention, diethyl oxalate is used as a starting material and subjected to condensation, ring closure, chlorination and esterification so as to prepare the pyrimidine compound. The prepared pyrimidine compound is an important medical intermediate.
Preparation method of 2-nitropyrimidine derivative
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Paragraph 0021; 0022, (2017/08/29)
The invention discloses a preparation method of 2-nitropyrimidine derivative which is methyl 6-chloro-2-nitropyrimidine-4-carboxylate. The method comprises the following steps: taking diethyl oxalate as a starting raw material, and carrying out condensation, cyclization, chlorination and esterification to obtain a target product. The compound is used as an important medical intermediate.
Preparation method of 2-substituted pyrimidine derivative
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Paragraph 0020-0022, (2017/11/04)
The invention discloses a preparation method of 2-substituted pyrimidine derivative 6-chlorine-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid methyl ester. A target product is obtained by taking diethyl oxalate as a starting raw material through condensation, ring closing, chlorination and esterification. The compound is an important medicine intermediate.
Preparation method of 2-pyrrolylpyrimidine derivative
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Paragraph 0020; 0021, (2017/08/29)
The invention discloses a preparation method of methyl 2-pyrrolylpyrimidine derivative 6-chloro-2-pyrrolylpyrimidine-4-carboxylate, comprising using diethyl oxalate as a starting material, and performing condensing, ring closure, chlorinating and esterifying to obtain the target product; the compound is an important pharmaceutical intermediate.
A 2 - substituted pyrimidine derivatives of the preparation method (by machine translation)
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Paragraph 0021; 0022, (2018/03/01)
The invention discloses a 2 - substituted pyrimidine derivatives 2 - (4 - bromophenyl) - 6 - chloro-pyrimidine - 4 - carboxylic acid ethyl ester preparation method, in order to diethyl oxalate as the raw material, after condensation, ring, chlorinated, esterification to obtain the target product, the compound is an important medical intermediates. (by machine translation)
Regioselective Synthesis of Dihydrothiophenes and Thiophenes via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Alkenes
Son, Jeong-Yu,Kim, Jonghye,Han, Sang Hoon,Kim, Sung Hong,Lee, Phil Ho
supporting information, p. 5408 - 5411 (2016/11/06)
A method for the regioselective synthesis of a wide range of dihydrothiophenes was developed from the rhodium-catalyzed transannulation of 1,2,3-thiadiazoles with aliphatic, aromatic, and heteroaromatic alkenes. Tandem rhodium-catalyzed transannulation of 1,2,3-thiadiazoles with alkenes followed by 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) oxidation was also demonstrated for the one-pot regioselective synthesis of various thiophenes. Advantages of the present method include a broad substrate scope, wide functional group compatibility, and high regioselectivity.
