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Thermal Decomposition of Diphenyl Tetroxane in Chlorobenzene Solution 二苯基四氧环在氯苯溶液中的热分解
Pub Date : 2019-01-11 DOI: 10.4236/ijoc.2019.91001
A. G. Bordón, A. N. Pila, Mariela I. Profeta, M. Jorge, L. C. Jorge, J. M. Romero, N. Jorge
The thermal decomposition of Cyclic Diperoxide of Benzaldehyde 3,6-diphenyl-1,2,4,5-tetroxane, (DFT) in chlorobenzene solution in the studied temperature range (130°C - 166°C) satisfactorily satisfies a first order law up to 60% conversions of diperoxide. DFT would decompose through a mechanism in stages and initiated by the homolytic breakdown of one of the peroxidic bonds of the molecule, with the formation of the corresponding intermediate biradical. The concentration studied was very low, so that the effects of secondary reactions of decomposition induced by free radicals originated in the reaction medium can be considered minimal or negligible. The activation parameters for the unimolecular thermal decomposition reaction of the DFT are ΔH# = 30.52 ± 0.3 kcal·mol-1 and ΔS# = -6.38 ± 0.6 cal·mol-1 K-1. The support for a step-by-step mechanism instead of a process concerted is made by comparison with the theoretically calculated activation energy for the thermal decomposition of 1,2,4,5-tetroxane.
在研究温度范围(130℃~ 166℃)下,苯甲醛3,6-二苯基-1,2,4,5-四氧环(DFT)在氯苯溶液中的热分解符合一阶定律,二过氧化物的转化率可达60%。DFT会通过一种分阶段的机制分解,由分子的一个过氧化物键的均解分解引发,并形成相应的中间双自由基。由于所研究的浓度很低,因此源于反应介质的自由基引起的分解二次反应的影响可以认为是最小的或可以忽略不计的。DFT单分子热分解反应的活化参数分别为ΔH# = 30.52±0.3 kcal·mol-1和ΔS# = -6.38±0.6 cal·mol-1 K-1。通过与理论计算的1,2,4,5-四己烷热分解活化能的比较,支持了分步机理而不是协调过程。
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引用次数: 0
Importance of Water Chemistry in Oil and Gas Operations—Properties and Composition 水化学在油气作业中的重要性——性质和组成
Pub Date : 2019-01-11 DOI: 10.4236/ijoc.2019.91003
A. Taha, M. Amani
In the oil and gas industry, water is essential element since it exists in most of the stages, starting from drilling operations, then production processes including injecting in the reservoir to maintain the pressure, and finally disposing the produced water from the reservoir. Therefore, it is very important to understand the water in the petroleum industry with its different types and study its effects on the reservoirs as well as the downhole and surface equipment. Most of the studies and literature reviews focused on the oil and gas properties. In fact, understanding the properties of the water is as important as the oil and gas properties. Water is always present in the oil and gas fields during production, injection or disposal. Therefore, it has a direct impact on the productivity and overall efficiency of the field and the entire development project. This paper is going to illustrate and focus on several objectives. First, it elaborates the importance of the water in the oil and gas fields. Then, it includes a comprehensive overview of different types of water in the petroleum industry including a summary about of their properties. The main two types that the paper focuses on are the produced water and the injected water. It clarifies the effects of both of them on the reservoir, well completions and facilities. After that, the paper touches bases on the common problems and issues caused by water along with a brief summary of steps needed by the operators to follow in order to solve them. In addition to that, the common monitoring procedures and tests that are usually followed to observe the quality of the water are going to be presented. Finally, couples of solutions used by operators are reviewed to solve the problem of excessive water production after the water breakthrough in the field.
在石油和天然气行业,水是必不可少的元素,因为它存在于大多数阶段,从钻井作业开始,然后是生产过程,包括注入储层以保持压力,最后处理储层的采出水。因此,了解石油工业中不同类型的水,研究其对储层以及井下和地面设备的影响是非常重要的。大多数研究和文献综述都集中在油气性质上。事实上,了解水的性质与了解油气性质同样重要。在生产、注入或处置过程中,水始终存在于油气田中。因此,它直接影响到油田和整个开发项目的生产力和整体效率。本文将阐述和关注几个目标。首先阐述了水在油气田开发中的重要性。然后,它包括对石油工业中不同类型的水的全面概述,包括对其性质的总结。本文主要研究的两种类型是采出水和注入水。阐明了两者对储层、完井和设施的影响。然后,针对常见的水质问题和问题进行了探讨,并简要总结了操作人员为解决这些问题需要遵循的步骤。除此之外,还将介绍通常用于观察水质的常见监测程序和测试。最后,总结了作业者为解决油田突水后出水过多问题所采用的几种解决方案。
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引用次数: 2
Synthesis of Folate-Appended β-Cyclodextrin Using Phenanthroline as Linker for Cancer Targeting Drug Delivery 以菲罗啉为连接体合成叶酸加成β-环糊精用于癌症靶向给药
Pub Date : 2019-01-11 DOI: 10.4236/IJOC.2019.91005
Nadim S. Russel, Punam K. Paul, M. R. Karim, B. Song
Here we have synthesized cancer targeting drug delivery system that contains β-cyclodextrin as a drug carrier and folic acid as a targeting ligand. Folic acid was selected as a cancer targeting ligand because folic acid receptors are highly expressed in a variety of tumor types. β-cyclodextrin and folic acid were connected through a linker [1,10-phenanthroline or 5-(hydroxymethyl) furfural]. β-cyclodextrin and folic acid were attached to the linker by formation of Schiffbase and ester, respectively. Our targeted synthetic products were confirmed by NMR, Mass and IR spectroscopy. We anticipate that our synthetic products can confer cancer cell-specific drug delivery as well as desired properties such as nanoparticle formation.
本文合成了以β-环糊精为药物载体,叶酸为靶向配体的癌症靶向给药系统。叶酸被选为癌症靶向配体,因为叶酸受体在多种肿瘤类型中高度表达。β-环糊精和叶酸通过连接体[1,10-菲罗啉或5-(羟甲基)糠醛连接。β-环糊精和叶酸分别通过席夫碱和酯的形式连接到连接体上。我们的目标合成产物通过核磁共振、质谱和红外光谱得到了证实。我们预计,我们的合成产品可以赋予癌症细胞特异性药物递送以及所需的性质,如纳米颗粒的形成。
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引用次数: 1
Computational Study for the Aromatic Nucleophilic Substitution Reaction on 1-Dimethylamino-2,4-bis(trifluoroacetyl)-naphthalene with Amines 1-二甲氨基-2,4-二(三氟乙酰基)-萘与胺的芳香亲核取代反应的计算研究
Pub Date : 2018-08-01 DOI: 10.4236/IJOC.2018.83020
N. Ota, Tomohiro Nakada, Takumi Shintani, Y. Kamitori, E. Okada*
Our previous research showed that aliphatic amines were put in order of high reactivity as “ethylamine > ammonia > t-butylamine > diethylamine” on the aromatic nucleophilic substitution of 1-dimetylamino-2,4-bis(trifluoroacetyl)-naphthalene 1 in acetonitrile. The DFT calculation study (B3LYP/6-31G* with solvation model) for the reactions of 1 with above four amines rationally explained the difference of each amines reactivity based on the energies of their Meisenheimer complexes 3 which are assumed to formed as the reaction intermediates in the course of the reaction giving the corresponding N-N exchange products 2. Intramolecular hydrogen bond between amino proton in 1-amino group and carbonyl oxygen in 2-trifluoroacetyl group stabilizes Meisenheimer complexes 3 effectively, and accelerates the substitution reaction from 1 to 2. Our calculation results also predicted that the above order of amines is also true if less polar toluene is used as a solvent instead of acetonitrile even though more enhanced conditions are required.
我们前期的研究表明,脂肪族胺在乙腈中亲核取代1-二甲胺-2,4-二(三氟乙酰基)-萘1的芳香族亲核取代上的高活性顺序为“乙胺>氨> t-丁胺>二乙胺”。1与上述四种胺的反应的DFT计算研究(B3LYP/6-31G*,溶剂化模型),根据假设在反应过程中形成的中间体Meisenheimer配合物3的能量,给出相应的N-N交换产物2,合理解释了每种胺的反应活性差异。1-氨基氨基质子与2-三氟乙酰基羰基氧之间的分子内氢键有效地稳定了Meisenheimer配合物3,加速了从1到2的取代反应。我们的计算结果还预测,如果使用较少极性的甲苯代替乙腈作为溶剂,即使需要更强的条件,上述胺的顺序也是正确的。
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引用次数: 1
Synthesis of New Fluorinated Fused Heteropolycyclic Nitrogen Systems Containing a Pyrazolotriazine Moiety as Antimicrobial Agents Part I 新型含吡唑三嗪类氟化融合杂多环氮抗菌剂的合成——ⅰ
Pub Date : 2018-01-15 DOI: 10.4236/IJOC.2018.81013
L. Taib, Sofiyah A. Adibani
A simple route to synthesize novel fluorinated fused hetero-polycyclic nitrogen systems containing a pyrazolotriazine moiety (5,8,11) have been deduced from cyclization of 2-aminothiocarbonyl-5-arylidene-3-phenyl-1,2,4-triazin-6(1H)one (2) with diethoxy-phosphine, diethyl carbonate and/or diethyl oxalate in boil THF followed by cyclo condensation with aryl sulfonic acid hydrazide in EtOH/piperidine and finally fluorination with trifluoroethyl acetate. Structures of the products have been established from their elemental analysis and spectral measurements. The antimicrobial activity of the targets has also been evaluated.
本文推导了一种新的含吡唑三嗪基团(5,8,11)的新型氟化融合杂多环氮体系的合成方法:先用二氧基膦、碳酸二乙酯和/或草酸二乙酯在四氢呋喃中环化2-氨基硫代羰基-5-芳基基-3-苯基-1,2,4-三嗪-6(1H) 1(2),再用乙氧基/哌啶环化芳基磺酸肼,最后用醋酸三氟乙酯氟化。通过元素分析和光谱测量,确定了产物的结构。对这些靶点的抗菌活性也进行了评价。
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引用次数: 3
The First Synthesis of Sessiline 赛斯林的第一次合成
Pub Date : 2014-12-26 DOI: 10.4236/IJOC.2014.45033
Viktor Ilkei, Kornél Faragó, Zsuzsanna Sánta, M. Dékány, L. Hazai, C. Szántay, G. Kalaus
Sessiline is an alkaloid which is recently isolated from the fruits of Acanthopanax sessiliflorus. The molecule contains two five-membered heterocyclic units joined together by an acylaminocarbinol-ether type bond. Here, we describe the first, simple synthesis of sessiline from 5-hydroxypyrrolidin-2-one and 5-hydroxymethylfurfural, which are prepared from succinimide and furfuryl alcohol, respectively. The coupling reaction takes place on moderate heating under neat conditions.
无梗五加碱是近年来从无梗五加果实中分离得到的一种生物碱。该分子包含两个五元杂环单元,由一个酰基氨基甲醇-醚型键连接在一起。本文首次以琥珀酰亚胺和糠醇为原料,以5-羟基吡咯烷酮-2- 1和5-羟甲基糠醛为原料,简单合成了赛斯林。偶联反应在均匀加热条件下进行。
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引用次数: 8
11 C-Labeling of the C(1)-C(10) Dihydroxy Acid Moiety for the Study on the Synthesis of Kulokekahilide-2 PET Tracer C(1)-C(10)二羟基酸片段的C标记及其在Kulokekahilide-2 PET示踪剂合成中的应用
Pub Date : 2014-11-06 DOI: 10.4236/IJOC.2014.44029
Chunguang Han, H. Doi, J. Kimura, Y. Nakao, Masaaki Suzuki
11C-labeled C1-C10 partial structure of kulokekahilide-2 (1) was successfully synthesized based on Pd0-mediated rapid C-[11C]methylation using [11C]methyl iodide and pinacol alkenylboronate. The preparation of organoboron intermediate via olefin cross-metathesis is also a crucial procedure for the synthesis of 11C-labeling C1-C10 dihy-droxy acid moiety of 1.
以[11C]碘化甲酯和品那考烯基硼酸酯为原料,通过pd0介导的快速C-[11C]甲基化反应,成功合成了11C标记的库洛卡碱-2(1)的C1-C10部分结构。通过烯烃交叉复合反应制备有机硼中间体也是合成11c标记C1-C10二羟基酸片段1的关键步骤。
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引用次数: 3
Convenient Cleavage Reaction of 1-Acylhydantoin to Amide 1-酰基乙酰胆碱与酰胺的便捷裂解反应
Pub Date : 2013-08-27 DOI: 10.4236/IJOC.2013.33025
Junichiro Yamaguchi, K. Abe, T. Narushima
A cleavage reaction of 1-acylhydantoin by an amine in tetrahydrofuran at elevated temperature provided the corre-sponding amide and hydantoin in high yield. It was found that the addition of diethylaluminum chloride accelerated the cleavage reaction rate. The amide yield depended on the steric hindrance of the amine.
在四氢呋喃中,一种胺在高温下裂解1-酰基氢妥英,可高产得相应的酰胺和氢妥英。结果表明,二乙基氯化铝的加入加快了解理反应的速率。酰胺的产率取决于胺的位阻。
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引用次数: 0
An Efficient Reaction Process for the Synthesis of Oxazinanes, and Oxazolidines in the Presence of Air 在空气存在下合成恶唑烷和恶唑烷的高效反应过程
Pub Date : 2012-12-27 DOI: 10.4236/IJOC.2012.24049
Mohammad Al-Masum, Baillie W. Lott, Nazanin Ghazialsharif
After purging air through the mixture of aldehydes and amino alcohols and microwaved the reaction mixture at 50°C for minutes gave the corresponding oxazinanes, and oxazolidines in excellent yields.
通过醛和氨基醇的混合物吹气,在50℃下微波反应几分钟,得到相应的恶唑烷和恶唑烷,收率很高。
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引用次数: 3
Environmentally Benign Electrophilic Halogenation of Naphthalenes by H2O2—Alkali Metal Halides in An Aqueous Cationic Micellar Media 在阳离子胶束介质中h2o2 -碱金属卤化物对萘的亲电卤化反应
Pub Date : 2012-09-25 DOI: 10.4236/IJOC.2012.23034
K. Reddy, S. Sana, Kusampally Uppalaiah, K. Rajanna, P. Veerasomaiah
An efficient and greener protocol for the synthesis of 1-halo-naphthols by the action of hydrogen peroxide and alkali metal halides in aqueous micellar media is been described in the present work. This is an environmentally clean and safe procedure, which involved insitu generation of the active halogen in presence of alkali halides. Cationic surfactants such as cetyltrimethylammoniumbromide (CTAB) and cetyltrimethylammoniumchloride (CTAC) were found to facilitate efficiency of halogenation in aqueous media.
本文介绍了一种利用双氧水和碱金属卤化物在胶束介质中高效、绿色地合成1-卤萘酚的方法。这是一种环境清洁和安全的程序,涉及在碱卤化物存在的情况下原位生成活性卤素。阳离子表面活性剂如十六烷基三甲基溴化铵(CTAB)和十六烷基三甲基氯化铵(CTAC)在水介质中提高了卤化效率。
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引用次数: 5
期刊
有机化学国际期刊(英文)
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