含氟、硝基苯并咪唑衍生物的合成及抗病毒活性

在碱性条件下由2-(4’-羟苯基)-5-取代苯并咪唑与氯乙酸作用得到5个新化合物取代苯并咪唑基苯氧乙酸。使其在4-二甲氨基吡啶催化下与溴代乙酰糖酯化合成了3个新化合物-含氟、硝基苯并咪唑苯氧乙酸糖酯。经IR、MS、^1HNMR确认了这8个新化合物的结构及酯类化合物的构型。试验结果表明，含氟、硝基苯并咪唑苯氧乙酸糖酯较取代苯并咪唑基苯氧乙酸具有更高的抗炯草花叶病毒(TMV)的活性。     

Computational Studies on Nitro,Nitramino, and Dinitramino Derivatives of 1‐Aminoazadiboridine as High Energetic Material

Computational studies were performed to determine the thermodynamic and explosive characteristics of high energy materials formed by placing explosophores such as nitro (−NO₂), nitramino (−NHNO₂), and dinitramino (−N(NO₂)₂) groups on 1‐aminoazadiboridine. G3 level calculations were made to determine the gas phase heat of formation of the designed species. In addition to the above, condensed phase heat of formation was also determined by evaluating the sublimation enthalpy. Crystal densities of title compounds were predicted with the help of a wave function analysis (WFA) program and were found to be in the range of 1.55–1.83 g cm⁻³. Bond dissociation energies of various possible bond rupture routes of the designed molecules were calculated at DFT‐B3LYP/6‐311G(d,p) level and attempt was made to identify the trigger linkage. Impact sensitivity was evaluated theoretically by employing a method based on statistical parameters determined from electrostatic potential data. Results show that the designed molecules are highly energetic and their corresponding detonation properties place them in the category of safe and high performance explosive materials.     

气相色谱法同时测定装饰材料中的苯等有毒有害物

采用气相色谱法(GC)分析装饰材料中的苯等有毒有害物。在DB-1柱上，使用双内标及程序升温和升流的方法，在28min内同时分离并测定了苯、甲苯、二甲苯以及甲苯二异氰酸酯。此法简便、快速、准确。     

焦化苯脱噻吩工艺进展及噻吩衍生物的综合利用

概述了焦化苯脱噻吩工艺进展,重点阐述了烷基化脱噻吩的方法,并叙述了一下噻吩衍生物的应用,最后对焦化苯的烷基化方法进行了展望.     

Computations of ESR coupling constants in organic radicals. III. Nitro Derivatives of the Benzyl Radical

We compute the ESR coupling constants and the geometries of ten nitro derivatives of the benzyl radical. We consider the three mononitrobenzyls, the six dinitrobenzyls and 2,4,6-trinitrobenzyl. The computations are based on the use of the Gaussian 82 Program Package with the STO-3G basis set. There are no experimental data available.     

Removal of Refractory Organics by Aeration. VIII. Air Stripping of Benzene Derivatives

Abstract

The removal of several benzene derivatives from water was carried out by bubble column aeration. The presence of NaCl enhanced removal rates, while the presence of alcohols decreased them. Mixtures of two hydrophobic solutes are removed by aeration as if each were present alone. The use of the equilibrium assumption for mass transport between phases seems to be reasonably (but not perfectly) satisfactory. Henry's law constants calculated from aeration data are in fairly good agreement with those calculated from vapor pressure and solubility data. Toluene, ethylbenzene, p-xylene, chlorobenzene, p-dichlorobenzene, styrene, benzene, and 3-pentanone were studied. As predicted, the ketone is not removed by aeration at a significant rate. Removal rates of the other compounds are reasonably rapid, with Henry's law constants in the range of roughly 0.1 to 0.3 (dimensionless).     

Circular Dichroism. LXXIV.CD of Benzene Derivatives with Several Identical Chiral Substituents

A comparison of the CD- and UV-spectra of benzene derivatives, which are mono-, 1,4-di- or 1,3,5-trisubstituted by (identical) chiral ligands, revealed that the rotational strength within the α-band of mono- and 1,3,5-trisubstituted benzenes is mainly derived from the magnetic transition moment of the benzene chromophore perpendicular to the ring, and from a corresponding electric transition moment stolen from a ligand transition. For the 1,4-disubstituted homologues, the main contribution to the rotational strength is associated with the electric transition moment in the plane of the benzene chromophore and with a corresponding magnetic transition moment, stolen from the A_1g → E_1g (D_6b-notation) transition within the same ring. For the 1,3,5-trisubstituted compounds, the 0–0-band is scarcely, or not at all, detectable in the UV-spectra, but distinctly recognizable in the CD-spectra. In a few cases Cotton-effects between the positions of the α- and the p-bands could be detected, which are ascribed to the magnetically allowed A_1g → E_1g (D_6b-notation) transition.     

1-芳基-2-吡咯烷酮衍生物的合成研究

1-芳基-2-吡咯烷酮衍生物是重要的有机合成中间体。以苯佐卡因为原料,经溴代、缩合、环合合成了目标产物,产物总收率达72.25%。其结构经1H NMR,MS进行了确证。该方法具有操作简便、成本低、收率高等优点。     

对异辛基苯甲醚的氯甲基化

在季铵盐四丁基溴化铵作为相转移催化剂、氯化锌作为催化剂的双重催化条件下,物料配比为n（酚醚）：n（甲醛）：n（氯化锌）=1：2：1．25,反应温度30～40℃,对异辛基苯甲醚进行氯甲基化反应的转化率可达100％．收率达到95％。运用红外色谱、核磁共振测定等对产物结构进行确认。     

1H-茚-3-酮-1-甲酸类化合物的合成研究

以3-氧代-2,3-二氢-1H-茚-1-甲酸类化合物为原料,经过液溴单溴代、1,8-二氮杂二环[5.4.0]十一碳-7-烯(DBU)脱溴化氢两步反应,合成2个1H-茚-3-酮-1-甲酸类化合物。并采用正交实验法,优化溴代反应的工艺条件,收率达97%,合成工艺具应用价值。     

焦化苯加氢精制工艺研究

介绍一种焦化苯加氢精制脱除杂质的工艺方法。该技术采用加氢精制,精制后的产品噻吩脱除率99.99%以上、总硫脱除率〉99%、碱性氮脱除率100%、总氮脱除率〉99%、液收〉99%,精制苯中总硫质量分数〈1×10^-6,检测不出总氮。精制后的产品符合石油苯国家标准的质量要求,可用于有机化工合成。     

Facile and Efficient One-Pot Synthesis of Anthraquinones from Benzene Derivatives Catalyzed by Silica Sulfuric Acid

In connection with our research program directed toward the synthesis of anthraquinones by new catalyst, we achieved a new method for preparation of some anthraquinone derivatives from the reaction of aromatic compounds with phthalic anhydride in the presence of silica sulfuric acid (SSA). The advantages of this method are availability of starting materials, simplicity of the reaction, reusability of catalyst and purity of products. In this reaction, the products were obtained via easy work-up in high yields and short reaction times. The structures of products were assigned by physical data and spectroscopic methods.     

间二甲苯硝化工艺的优化研究

以间二甲苯为原料,采用分段变温硝化,制得2,4-二甲基硝基苯和2,6-二甲基硝基苯,总收率达到94%以上,摸索出了间二甲苯混酸硝化制一硝基间二甲苯较适宜的硝化条件。通过实验分别讨论了反应温度,混酸配比,硝化时间对硝化产物的影响。     

芳香族硝基化合物的水合肼催化还原反应的研究

研究了以８０％水合肼为还原剂,在ＦｅＣｌ３·６Ｈ２Ｏ／Ｃ存在下,回流３～８ｈ,将芳香族硝基化合物转变成芳香族氨基化合物的还原反应。相应的氨基化合物的产率达到８５％～９８％。     

1-Phenylcycloakylamine Derivatives I

1-Phenyl substituted cyclobutyl-, cyclopentyl-, and cyclohexylamines were obtained in the Hofmann reaction of 1-phenylcycloalkanecarboxamides. 1-Phenylcyclohexylamine was also prepared by the Ritter reaction of 1-phenylcyclohexanol.     

肉桂酸合成反应中间体1,3,3,3-四氯丙基苯的分析方法研究

建立了可测定苯乙烯-四氯化碳法合成肉桂酸中反应中间体1,3,3,3-四氯丙基苯的气相色谱分析方法,以对氯硝基苯为内标,排除了合成反应中大量杂质的干扰,加标回收样的回收率为99.8%,RSD为0.95%.     

水中水合肼还原芳香族硝基化合物的研究

以NaOH溶液沉淀FeCl3溶液制备了催化剂FeO(OH)。在水中用FeO(OH)催化水合肼还原9种芳香族硝基化合物得到相应的芳胺,收率96%-99%。并以邻硝基甲苯为反应底物考察了水合肼用量、催化剂用量、反应温度和反应时间对产物收率的影响。较优的反应条件为:n(水合肼)∶n(邻硝基甲苯)=2∶1;催化剂FeO(OH)的用量为0.015 g/mmol邻硝基甲苯,80℃反应50 min,邻甲苯胺的收率达98%。     

对气相色谱仪检测苯纯度的研究

苯作为一种石油化工基本原料,广泛应用于生活中的方方面面。苯主要应用于染料、医学、农药等精细化学品的生产,也用于合成材料工业。苯的产量和生产的技术水平是一个国家石油化工产业发展水平的标志之一。而对苯纯度的检测也是十分重要的,其标准方法有:气相色谱法检测精制苯、精制苯标准规范、石油苯等。就气相色谱仪检测苯纯度进行探究,以便了解气相色谱仪的工作原理以及苯纯度的检测方法。     

1H-茚-2-羧酸衍生物的合成与杀菌活性研究

设计、合成了10个结构新颖的1H-茚-2-羧酸衍生物,其结构经1H NMR和MS确证。初步生物活性研究结果表明所设计并合成的化合物具有杀菌活性,如化合物6h在25 mg/L剂量下,对油菜菌核病菌、黄瓜灰霉病菌的抑制率分别为87.9%和93.0%。