2,2',6,6'-tetranitrobiphenyl | 2217-54-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2',6,6'-tetranitrobiphenyl
• 英文别名: 2,2',6,6'-Tetranitro-1,1'-biphenyl；2-(2,6-dinitrophenyl)-1,3-dinitrobenzene
• CAS: 2217-54-1
• 化学式: C₁₂H₆N₄O₈
• 分子量: 334.202
• InChiKey: FBVPTHLEHALHAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  183
• 氢给体数：
  0
• 氢受体数：
  8

安全信息

• 海关编码：
  2904209090

反应信息

• 作为反应物：
  描述：

  2,2',6,6'-tetranitrobiphenyl 在 sodium polysulfide 、 乙醇 作用下， 生成 6,6′-dinitro[1,1′-biphenyl]-2,2′-diamine
  参考文献：
  名称：

  Braithwaite et al., Journal of the Chemical Society, 1958, p. 4073,4076

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二硝基碘苯 在 Cu catalyst 作用下， 生成 2,2',6,6'-tetranitrobiphenyl
  参考文献：
  名称：

  Mueller,H.K.; Krombholz,W., Chemische Berichte, 1960, vol. 93, p. 2561 - 2566

  摘要：

  DOI：

文献信息

• Liquid crystalline behavior of tetraaryl derivatives of benzo[c]cinnoline, tetraazapyrene, phenanthrene, and pyrene: the effect of heteroatom and substitution pattern on phase stability
  作者：Monika J. Sienkowska、John M. Farrar、Fan Zhang、Sharat Kusuma、Paul A. Heiney、Piotr Kaszynski

  DOI：10.1039/b615545f

  日期：——

  A series of closely related tetrasubstituted derivatives of benzo[c]cinnoline (1), tetraazapyrene (2), phenanthrene (3), and pyrene (4) were investigated for their mesogenic properties using thermal, optical, spectroscopic, and powder XRD analyses. Only three 3,4-dioctyloxyphenyl derivatives exhibited mesogenic properties. Substitution of N for CH (3 → 1 and 4 → 2 pairs) and also increase of the core element size (1 → 2 and 3 → 4 pairs) significantly increases the mesophase stability. The findings and observed trends were rationalized by analysis of conformational properties which included calculation of the planarization energy, and modeling of aliphatic chain density and fill fractions. MO calculations showed that the tetraaza derivative 2c is significantly electron deficient and suitable for electron conductive materials.

  一系列密切相关的四取代苯并[c]吡咯啉（1）、四烯氮（2）、菲（3）和芘（4）衍生物的介质性质通过热学、光学、光谱及粉末XRD分析进行了研究。只有三种3,4-二辛氧基苯衍生物表现出了介质特性。将N替换为CH（3→1和4→2对）以及核心元素尺寸的增加（1→2和3→4对）显著提高了相位稳定性。研究结果及观察到的趋势通过对构象特性的分析进行了合理化，包括平面化能量的计算，以及脂肪链密度和填充分数的建模。分子轨道计算显示，四氮衍生物2c显著缺电子，适合用于电子导电材料。
• 2, 2', 6, 6'- TETRASUBSTITUTED AMINOPHOSPHINE LIGAND AND ITS SYNTHESIS METHOD
  申请人：Zhang Wanbin

  公开号：US20100217040A1

  公开（公告）日：2010-08-26

  The present invention relates to a 2,2′,6,6′-tetrasubstituted aminophosphine ligand and its synthesis method. The structure of the ligand is shown as below. Its synthesis method comprises: Step (1) coupling 2,6-dinitrochlorobenzene as the starting material to obtain 2,2′,6,6′-tetranitrobiphenyl; Step (2): hydrogenating the 2,2′,6,6′-tetranitrobiphenyl with Pd/C to obtain 2,2′,6,6′-tetraminobiphenyl; Step (3): reacting the 2,2′,6,6′-tetraminobiphenyl with a phosphine halide to obtain the 2,2′,6,6′-tetrasubstituted aminophosphine ligand. The ligand of the present invention is an achiral compound, and its preparation method is simple. The ligand can be converted to a chiral bimetallic catalyst with single configuration eventually through introduction of external chirality. Moreover, the ligand can be used in various asymmetric reaction catalyzed by metals with high reactivity and stereoselectivity.

  本发明涉及一种2,2′,6,6′-四取代氨基膦配体及其合成方法。该配体的结构如下所示。其合成方法包括：步骤（1）将2,6-二硝基氯苯作为起始原料偶联以获得2,2′,6,6′-四硝基联苯；步骤（2）：用Pd/C对2,2′,6,6′-四硝基联苯进行氢化以获得2,2′,6,6′-四胺基联苯；步骤（3）：将2,2′,6,6′-四胺基联苯与膦卤反应以获得2,2′,6,6′-四取代氨基膦配体。本发明的配体是一种不对映体化合物，其制备方法简单。该配体最终可以通过引入外部手性转化为具有单一构型的手性双金属催化剂。此外，该配体可用于由具有高反应性和立体选择性的金属催化的各种不对称反应中。
• 2,2′,6,6′-tetrasubstituted aminophosphine ligand and its synthesis method
  申请人：Zhang Wanbin

  公开号：US08729303B2

  公开（公告）日：2014-05-20

  The present invention relates to a 2,2′,6,6′-tetrasubstituted aminophosphine ligand and its synthesis method. The structure of the ligand is shown as below. Its synthesis method comprises: Step (1) coupling 2,6-dinitrochlorobenzene as the starting material to obtain 2,2′,6,6′-tetranitrobiphenyl; Step (2): hydrogenating the 2,2′,6,6′-tetranitrobiphenyl with Pd/C to obtain 2,2′,6,6′-tetraminobiphenyl; Step (3): reacting the 2,2′,6,6′-tetraminobiphenyl with a phosphine halide to obtain the 2,2′,6,6′-tetrasubstituted aminophosphine ligand. The ligand of the present invention is an achiral compound, and its preparation method is simple. The ligand can be converted to a chiral bimetallic catalyst with single configuration eventually through introduction of external chirality. Moreover, the ligand can be used in various asymmetric reaction catalyzed by metals with high reactivity and stereoselectivity.

  本发明涉及一种2,2′,6,6′-四取代氨基膦配体及其合成方法。该配体的结构如下所示。其合成方法包括：步骤（1）以2,6-二硝基氯苯为起始材料偶联得到2,2′,6,6′-四硝基联苯；步骤（2）用Pd/C将2,2′,6,6′-四硝基联苯加氢得到2,2′,6,6′-四氨基联苯；步骤（3）将2,2′,6,6′-四氨基联苯与膦卤反应得到2,2′,6,6′-四取代氨基膦配体。本发明的配体是一个非手性化合物，其制备方法简单。通过引入外部手性，该配体最终可以转化为具有单一构型的手性双金属催化剂。此外，该配体可用于由高反应性和立体选择性金属催化的各种不对称反应。
• Apparatus and method for spatially detecting or quantifying chemical species
  申请人：General Electric Company

  公开号：US20030040118A1

  公开（公告）日：2003-02-27

  An apparatus provides for the detection, the determination of the location or the spatial distribution, and/or the quantification of an amount of a chemical species by allowing the chemical species to come into contact with a fluid medium contained in a permeable capillary, transferring the content of the capillary after the contact to a detector, and detecting the chemical species as the content of the capillary is transferred to a detector. The fluid medium can contain a selected reagent that selectively interacts with the chemical species to produce an optically detectable interaction product. The location and amount of the chemical species are determined from a characteristic of the chemical species or its interaction product measured on the content of the capillary and the time at which the characteristic is detected. The apparatus may be used in a method for detecting, determining the location or the spatial distribution of, and quantifying a wide range of chemical compounds, such as for monitoring chemicals in environment and industrial facilities and determining products in a combinatorial experiment.

  有一种仪器可以检测、确定化学物质的位置或空间分布，和/或量化化学物质的数量，其方法是让化学物质与可渗透毛细管中的流体介质接触，接触后将毛细管中的物质转移到检测器中，当毛细管中的物质转移到检测器中时检测化学物质。流体介质可以含有选择性试剂，该试剂可选择性地与化学物质相互作用，产生可光学检测的相互作用产物。根据在毛细管内容物上测量到的化学物质或其相互作用产物的特征以及检测到该特征的时间来确定化学物质的位置和数量。该装置可用于检测、确定各种化合物的位置或空间分布以及量化各种化合物的方法，例如用于监测环境和工业设施中的化学品以及确定组合实验中的产物。
• Opto-acoustic wave chemical sensor
  申请人：General Electric Company

  公开号：US20030053936A1

  公开（公告）日：2003-03-20

  An opto-acoustic wave sensor provides for the detection, the determination of the location, and/or the quantification of an amount of a chemical species using a selective chemical interaction of the chemical species and a selective reagent disposed on a surface of the opto-acoustic wave sensing element. The amount of the chemical species is detected by a change in the mass of the opto-acoustic wave-sensing element, which results in a detectable change in a resonance frequency of the sensing element. The identity of the chemical species is ascertained by an optical property of the product of the selective chemical interaction such as an absorbance or an intensity or other properties of the electromagnetic radiation emitted by the product. The sensor may be used in a method for detecting, determining the location or the spatial distribution of, and quantifying a wide range of chemical compounds, such as for monitoring chemicals in environment and industrial facilities and determining products in a combinatorial experiment.

  一种光声波传感器可利用化学物质与设置在光声波传感元件表面的选择性试剂之间的选择性化学作用来检测、确定化学物质的位置和/或量化化学物质的数量。光声波传感元件的质量变化会导致传感元件的共振频率发生可检测的变化，从而检测出化学物质的数量。化学物质的特性可通过选择性化学作用产物的光学特性（如吸光度或强度）或产物发射的电磁辐射的其他特性来确定。该传感器可用于检测、确定各种化合物的位置或空间分布以及量化各种化合物的方法，例如用于监测环境和工业设施中的化学品以及确定组合实验中的产物。