Day: April 8, 2022

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 1194-22-5, is researched, Molecular C5H6N2O2, about Structure of 4,6-dihydroxypyrimidine derivatives studied by infrared spectra, the main research direction is pyrimidines hydroxy IR; IR hydroxypyrimidines.Quality Control of 6-Hydroxy-2-methylpyrimidin-4(3H)-one.

Ir spectra of 4,6-dihydroxypyrimidine derivatives were studied in the 1500-1800-cm.-1 region, in order to determine which tautomers are present in each case. Model compounds, with fixed structures were taken as references. 4,6-Dimethoxypyrimidine (I) has the fixed enol structure, and its ir bands at 1595 and 1555 cm.-1 correspond to ring vibrations. 1-Methyl-5-methoxy-6-pyrimidin-one (II) has both enol and keto forms fixed; it shows a strong band (1673 cm.-1 in Me2SO and 1660 cm.-1 in D2O) which is ascribed to the C:O stretching vibration. Weaker bands (1605 and 1550 cm.-1 in Me2SO, and 1603 and 1550 cm.-1 in D2O) are ascribed to the ring. 5,5-Diethyl-2-phenyl-4,6-pyrimidinedione (III), with partially fixed structure, can have 2 tautomeric forms. In Me2SO 2 C:O bands are seen at 1728 and 1682 cm.-1, and the diketo form is ascribed. IV, (R = Me), the structure of which was proven, has 2 carbonyls. One C:O band only can be expected, as for ionized carboxyl groups. Three bands are seen instead, in solution, and 2 of them should be ascribed to the ring vibrations. Potentially tautomeric compounds (14) were investigated in Me2SO and D2O solutions, and in the solid state. In Me2SO all the compounds have a strong C:O band at 1690-1660 cm.-1 and some other weaker bands, ascribed to ring and N-H bending frequencies, as for fixed enol and keto forms of II. The frequency of the C:O band depends on the nature of the substituent in position 5 on the ring; it is 1660 cm.-1 for 5-Me, 1658 for Ph, 1667 for H, 1672 for OPh, 1673 for Cl, 1673 for Br, and 1690 for NO2. The spectrum of 4,6-dihydroxypyrimidine (V), its mono-N-methyl-, 5-, and 2-methyl-substituted derivatives show 3 bands at 1675, 1648, and 1560 cm.-1 as does IV; the same type of spectra are given by the N-methyl-, 5-methyl-, and 2-methyl-substituted derivatives of V, showing that they exist in the bipolar form IV. The C:O band of the compounds in the solid state are wide and it is difficult to ascribe any form by comparing with the spectra of model compounds but the N-H bending frequencies are easy to ascribe, compared with the spectra of the corresponding deuterated compounds All the compounds may be divided in 2 groups: the 1st, with N-H bending frequencies of 1700-1640 cm.-1 includes V and its 2- and 5-methylsubstituted compounds; the 2nd with N-H bending frequencies of 1600-1560 cm.-1, as for 4-methoxy-6-hydroxypyrimidine, include compounds having electroneg. substituents such as Ph, Br, and NO2, in the 5 position of the ring. The higher N-H bending frequencies of the 1st group as compared with the frequency for the fixed structures II is explained by bipolar structure type IV. 5-Phenyl-, 5-bromo-, and 5-nitro-4,6-dihydroxypyrimidines exist in the keto and enol forms of II, or in the diketo form of III. The diketo form ascribed to 5-Br- and 5-NO2-substituted compounds is not final, because 2 bands could appear by splitting of the C:O band in II caused by intermol. interactions, in the crystals.

There is still a lot of research devoted to this compound(SMILES：CC1=NC(=CC(N1)=O)O)Quality Control of 6-Hydroxy-2-methylpyrimidin-4(3H)-one, and with the development of science, more effects of this compound(1194-22-5) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Zhang, Wenlin; Zhao, Lei; Li, Hui; Manasa, Pantrangi; Ran, Fen researched the compound: Cupric bromide( cas:7789-45-9 ).Synthetic Route of Br2Cu.They published the article 《Hydrated halide clusters on electrode materials for aqueous supercapacitor》 about this compound( cas:7789-45-9 ) in Journal of Power Sources. Keywords: hydrated halide cluster electrode aqueous supercapacitor. We’ll tell you more about this compound (cas:7789-45-9).

We develop a novel film electrode fabrication technol. involving phase separation and self-assemble of hydrophilic and hydrophobic polymers together with the active materials, and introducing different halide ions into membrane. With the introduction of hydrated halide clusters of Cl-, the water contact angle of the PESAC film is reduced from 90.6° to 62.4° and the capacitance of single electrode increases from 173.0 to 242.5 F g-1. Furthermore, polymer brushes of different length with halogen ions at the end of macromols. are grafted on the surface of film and pores. There is a balance between the wettability and the steric effect.

There is still a lot of research devoted to this compound(SMILES：[Cu+2].[Br-].[Br-])Synthetic Route of Br2Cu, and with the development of science, more effects of this compound(7789-45-9) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Safety of Ethyl 3-bromo-2-oxopropanoate. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about Elastase inhibitor cyclotheonellazole A: Total synthesis and in vivo biological evaluation for acute lung injury. Author is Cui, Yingjun; Zhang, Mengyi; Xu, Honglei; Zhang, Tingrong; Zhang, Songming; Zhao, Xiuhe; Jiang, Peng; Li, Jing; Ye, Baijun; Sun, Yuanjun; Wang, Mukuo; Deng, Yangping; Meng, Qing; Liu, Yang; Fu, Qiang; Lin, Jianping; Wang, Liang; Chen, Yue.

Acute lung injury/acute respiratory distress syndrome (ALI/ARDS) is one of the most common complications in COVID-19. Elastase has been recognized as an important target to prevent ALI/ARDS in the patient of COVID-19. Cyclotheonellazole A (CTL-A) is a natural macrocyclic peptide reported to be a potent elastase inhibitor. Herein, we completed the first total synthesis of CTL-A in 24 linear steps. The key reactions include three-component MAC reactions and two late-stage oxidations We also provided seven CTL-A analogs and elucidated preliminary structure-activity relationships. The in vivo ALI mouse model further suggested that CTL-A alleviated acute lung injury with reductions in lung edema and pathol. deterioration, which is better than sivelestat, one approved elastase inhibitor. The activity of CTL-A against elastase, along with its cellular safety and well-established synthetic route, warrants further investigation of CTL-A as a candidate against COVID-19 pathogeneses.

There is still a lot of research devoted to this compound(SMILES：O=C(OCC)C(CBr)=O)Safety of Ethyl 3-bromo-2-oxopropanoate, and with the development of science, more effects of this compound(70-23-5) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Fernandez-Saez, Nerea; Rubio-Ruiz, Belen; Campos, Joaquin M.; Unciti-Broceta, Asier; Carrion, Maria Dora; Camacho, Maria Encarnacion researched the compound: 2,6-Dichloropurine( cas:5451-40-1 ).Recommanded Product: 5451-40-1.They published the article 《Purine derivatives with heterocyclic moieties and related analogs as new antitumor agents》 about this compound( cas:5451-40-1 ) in Future Medicinal Chemistry. Keywords: breast colorectal cancer cell purine derivative antitumor; Mitsunobu; antiproliferative activity; apoptosis; benzoxazine; pyridoxazine; quinoline. We’ll tell you more about this compound (cas:5451-40-1).

Identification of new antiproliferative compounds Four series of compounds were synthesized by the Mitsunobu reaction. Their antiproliferative activity was studied against several cancer cells and a noncancerous fibroblast cell line. Their apoptotic activity was analyzed using a caspase 3/7 fluorescence assay. 9-Alkylated-6-halogenated and 2,6-dihalogenated purines show remarkable inhibition of tumor cell proliferation, with the dichloro derivatives being the most potent of all the series. The most promising compound, tetrahydroquinoline 4c, exhibits significant antiproliferative activity against the cancer cells tested, while displaying a 19-fold lower potency against noncancerous fibroblasts, a key feature that indicates potential selectivity against cancer cells. This compound produces a high percentage of apoptosis (58%) after 24 h treatment in human breast cancer MCF-7 cells.

There is still a lot of research devoted to this compound(SMILES：C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2)Recommanded Product: 5451-40-1, and with the development of science, more effects of this compound(5451-40-1) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Category: oxazolidine. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: Cupric bromide, is researched, Molecular Br2Cu, CAS is 7789-45-9, about Construction of Thermoresponsive Microcapsules for the Controlled Release of Thidiazuron to Improve Defoliation Effects. Author is Feng, Xiantao; Zhu, Yingqiang; Liu, Zhiqing; Meng, Caiye; Yang, Lin; Han, Xiaoqiang; Yang, Jinfeng; Jia, Xin.

The successful defoliation of cotton leaves by using chem. defoliants is extremely important for the mech. harvest of cotton, which can greatly reduce the impurity content of cotton. However, the defoliation effect is seriously affected by temperature Cotton absorbs excessive defoliants at high temperatures, which causes the cotton leaves to be scorched without falling off. We have constructed a smart carrier system through thermoresponsive microcapsules, which can decrease the release of defoliants at high temperatures to avoid an excessive absorption of defoliants by plants so that the absorption of defoliant by the leaves has been maintained at an optimal level. A defoliant microcapsule (TDZ@PDA-g-PMEO2MA) was prepared by loading thidiazuron (TDZ, a widely used defoliant) in a carrier of polydopamine grafted with 2-(2-methoxyethoxy)ethyl methacrylate through a simple phys. adsorption process to study its defoliation effect, with a high loading ratio of 45.9%. The outer polymer brush of the microcapsules can collapse at a high temperature to reduce the release of TDZ, thereby preventing the scorched leaves caused by the excessive absorption of defoliants by cotton. Compared with the com. available TDZ formula (wettable powder), the cotton defoliation ratio is increased by 51.1%, which shows a better defoliation effect. Thermoresponsive microcapsules reduce the excessive absorption of defoliants by cotton by reducing the release of defoliants, which greatly enhances the defoliation effect of cotton at high temperatures The result provides a new idea for how to increase the defoliation ratio at a high temperature

There is still a lot of research devoted to this compound(SMILES：[Cu+2].[Br-].[Br-])Category: oxazolidine, and with the development of science, more effects of this compound(7789-45-9) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

COA of Formula: Br2Cu. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Cupric bromide, is researched, Molecular Br2Cu, CAS is 7789-45-9, about Durable superhydrophobic cotton fabrics prepared by surface-initiated electrochemically mediated ATRP of polyhedral vinylsilsesquioxane and subsequent fluorination via thiol-Michael addition reaction. Author is Li, Hui; Tang, Songsong; Zhou, Qingqing; Chen, Wei; Yang, Xixue; Xing, Tieling; Zhao, Yan; Chen, Guoqiang.

Fluorinated polyhedral oligomeric silsesquioxane (F-POSS) is one of the most popular candidates at present for superhydrophobic coating. Because of its ultralow surface energy, F-POSS has usually been dissolved with expensive fluoro-solvents, and the melting temperature of F-POSS is not high (122-140°C), which will cause its loss during use. So trying to polymerize/crosslink F-POSS mols. and/or directly graft F-POSS to substrate is important. In this work, we report the SI-eATRP grafting of methacryl POSS (MA-POSS) on cotton and the subsequent amine catalyzed thiol-methacrylate Michael addition reaction of poly(MA-POSS) with 1H, 1H, 2H, 2H-perfluorododecyl-1-thiol (PFDT) for the fabrication of a durable poly(MA-POSS)-PFDT coating. The cotton fabric coated with poly(MA-POSS) was nearly superhydrophobic after 4 h of SI-eATRP process under potentiostatic condition of -0.40 V. Although the water contact angle (WCA) was ∼148°, water droplets tended to adhere to the cotton fabric surface even when the fabric was turned upside down. After fluorination, WCA was increased to ∼160°, and water drops could slide off when the fabric was slightly tilted. The sliding angle (SA) was ∼10°. The as-prepared poly(MA-POSS)-PFDT coating was durable against repeated washing and phys. abrasion. After 30 accelerated washing cycles (equals to 150 home laundering cycles), the coated fabric still showed superhydrophobicity. After 800 abrasion cycles over sandpaper, the WCA was still as high as 149°. In addition, the coated fabric had self-healing ability and could restore its superhydrophobicity after plasma etching through heat treatment. After 10 cycles of plasma etching and heat-induced healing process, the WCA of the coated fabric kept at ∼154°. Such a durable superhydrophobic fabric coating may find applications in the development of functional clothing for a variety of purposes.

There is still a lot of research devoted to this compound(SMILES：[Cu+2].[Br-].[Br-])COA of Formula: Br2Cu, and with the development of science, more effects of this compound(7789-45-9) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Reference of Cupric bromide. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Cupric bromide, is researched, Molecular Br2Cu, CAS is 7789-45-9, about Spectral studies and quantum chemical ab initio calculations for Copper(II) complexes of two heterocyclic aroylhydrazones. Author is Sheeja, S. R.; Mangalam, Neema Ani; Sithambaresan, M.; Prathapachandra Kurup, M. R.; Kaya, Savas; Serdaroglu, Goncagul.

five copper(II) complexes of quinoline-2-carbaldehyde benzoylhydrazone and a copper(II) complex of 2-benzoylpyridine benzoylhydrazone were synthesized. From the elemental analyses, conductivity measurements and by the determination of magnetic moments, the complexes were formulated. The complexes were characterized by IR, electronic and EPR spectroscopy. From the trend in g values, considerable covalent character is expected to the metal-ligand bonds and also, square pyramidal geometry is suggested for five coordinated complexes. Half field signals observed in the EPR spectra of [Cu(QCB)N3]2·H2O and [Cu2(BPB)2(μ-SO4)], in solid state at 298 K and in frozen solution, confirm the dimeric structure for the complexes. The quantum chem. results obtained from the ab initio calculations for the aroylhydrazones and their Cu(II)- complexes were evaluated to explain the observed reactivity tendency of the compounds

There is still a lot of research devoted to this compound(SMILES：[Cu+2].[Br-].[Br-])Reference of Cupric bromide, and with the development of science, more effects of this compound(7789-45-9) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Reference of 6-Hydroxy-2-methylpyrimidin-4(3H)-one. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about On the Synthesis of 1,1-Diamino-2,2-dinitroethene (FOX-7) by Nitration of 4,6-Dihydroxy-2-methylpyrimidine. Author is Latypov, Nikolaj V.; Johansson, Martin; Holmgren, Erik; Sizova, Ekaterina V.; Sizov, Vladimir V.; Bellamy, Anthony J..

The synthesis of 1,1-diamino-2,2-dinitroethene (FOX-7) by nitration of 4,6-dihydroxy-2-methylpyrimidine and hydrolysis of the resulting intermediate 2-dinitromethylene-5,5-dinitropyrimidine-4,6-dione was studied. By varying the reaction parameters the optimal conditions for the synthesis of FOX-7 were identified and gave a >90% yield of the pure product. The optimized process allowed the spent acid to be recycled without loss of yield, with almost stoichiometric consumption of HNO3. The purity of the FOX-7 was determined by using a newly developed HPLC method.

There is still a lot of research devoted to this compound(SMILES：CC1=NC(=CC(N1)=O)O)Reference of 6-Hydroxy-2-methylpyrimidin-4(3H)-one, and with the development of science, more effects of this compound(1194-22-5) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Application of 1194-22-5. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Influence of some derivatives and isomers of uracil, cytosine, and isocytosine on the growth of transplantable tumors. Author is Aksamitnaya, I. A..

5-Hydroxy-4-methyluracil, 4,5-dihydrouracil, 6-thiouracil, 6-thio-4-methyluracil, 2-methyl-4,6-dihydroxypyrimidine, or 4-amino-6-hydroxypyrimidine at 100-200 mg./ml. suppressed tumor growth by 9-32%, while 6-thiothymine and Na 4-methyl-5-sulfoisocytosine stimulated tumor growth by 33 and 41%, resp., in mice implanted with sarcoma 180 cells. 4-Amino-6-hydroxypyrimidine inhibited and Na 4-methyl-5-sulfoisocytosine stimulated growth of Ehrlich ascites tumors in mice. Thymine, 4-methyluracil, 4-methyl-4,5-dihydrouracil, 4-methylisocytosine, and 4-methyl-5-aminoisocytosine did not affect tumor growth in mice.

There is still a lot of research devoted to this compound(SMILES：CC1=NC(=CC(N1)=O)O)Application of 1194-22-5, and with the development of science, more effects of this compound(1194-22-5) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Infrared spectra of derivatives of pyrimidine》. Authors are Short, L. N.; Thompson, H. W..The article about the compound:6-Hydroxy-2-methylpyrimidin-4(3H)-onecas:1194-22-5,SMILESS:CC1=NC(=CC(N1)=O)O).Name: 6-Hydroxy-2-methylpyrimidin-4(3H)-one. Through the article, more information about this compound (cas:1194-22-5) is conveyed.

Graphs of the vibrational spectra between 2 and 25 μ are given for the following compounds suspended as solids in paraffin or perfluorokerosine, and for the deuterio derivatives of the starred compounds (deuteriated by treatment with D2O): pyrimidine, monosubstituted pyrimidines: 2-Cl-, 2-NH*2-, 5-NH2-2-OH-*, 4-OH-*, 2-SH-*; 2,4-disubstituted pyrimidines: Cl2-, (OEt)2, (OPh)2, 2-Cl-4-NH2-*, (OH)2-*, 2-OH-4-NH2-*, (NH2)2-(SH)2-*, 2-SH-4-NH2-, 2(-)SH-4-OH-*; 4,6-disubstituted pyrimidines: 4-NH2-6-Cl-*, 4-OH-6-Me-, (OH)2-, 4-OH-6NH2-*, (NH2)2-*, 2,4,6-trisubstituted pyrimidines: Cl3-, 2-Me-4,6-Cl2-, 2-NH2-4,6-Me*2-2-NH2-4,6-(OMe)2-, 2-NH2-4,6-Cl2-, 2-NH2-4-Me-6-OEt-*, 2-NH2-4-Me-6-Cl-*, 2,6-Cl2-4-NH2-, 2-Cl-4-NH2-6-Me-, 2,6-Me2-4-NH2-*, 2-Me-4-NH2-6-Cl-, 2-NHMe-4-Me-6-Cl-, 2,6-Me2-4-OH-, 2,4-(OH)2-6-Me-, 2-Me-4,6-(OH)2-, (OH)3-, 2-NH2-4-OH-6-Me-*, 2-NMe2-4-OH-6-Me-*, 2-NH2-4-OH-6-Cl-, 2-SMe-4-OH-6-NH2-, 2-Me-4-OH-6-NH2-*, (NH2)3-, 2,4-(OH)2-6-NH2-, 2-NH2-4,6-(OH)2-, 2,4-(NH2)2-6-OH, 2-OH-4,6-(NH2)2-, 2-SH-4-OH-6-Me-, 2-SH-4-OH-6-NH2-, 2-NH2-4-Me-6-CONH2-, 2-NH2-4-Me-6-CN-; also the 4-NH2-5-Ph-*, 2,4-(OH)2-5-NO2-, 4,6-(NH2)2-5-Br-, 2-Me-4,6-(OMe)2-5-NO2-, 2-Me-4,6-(OMe)2-5-NH2-, 2-SEt-4-OH-5-Et-6-Me-, 1,4-Me2-2-SMe-6-O-, 1,3-Me2-2,4-O2-, 2-NH2-3-Et-4-Me-6-O-, and 1-Et-2-NH2-4-Me-6-O- pyrimidine derivatives In the OH and NH2 pyrimidines with or without other substituents around the ring, the main regions connected with the possibility of tautomerism are at 6 μ and 3 μ. Since ambiguities occur in both these regions, exact frequency assignments are difficult to make. The spectra are highly characteristic with sharp bands and might be used for analysis and identification. The spectral evidence suggests a ketonic structure for simple 2-OH and 4-OH derivatives and probably a diketonic form for 2,4-(OH)2 derivatives In 4,6-dihydroxypyrimidine one CO and one OH group may be present. NH2-substituents are probably not tautomerized and have the character of an amido group. The electronic effects of different substituents may influence the tautomerism and the amount of H-bonding. These conclusions do not agree in some respects with those of Brownlie (C.A. 45, 2778d).

There is still a lot of research devoted to this compound(SMILES：CC1=NC(=CC(N1)=O)O)Name: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, and with the development of science, more effects of this compound(1194-22-5) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem