1-(4-bromophenyl)-1H-indene | 1262843-17-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 1-(4-bromophenyl)-1H-indene
• 英文别名: 4-bromophenylindene；1-(4-bromophenyl)-indene
• CAS: 1262843-17-3
• 化学式: C₁₅H₁₁Br
• 分子量: 271.156
• InChiKey: SLFBCZGVEBIOFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-(4-bromophenyl)-1H-indene 在 copper(l) iodide 作用下， 以 N-甲基吡咯烷酮 、 二氯甲烷 为溶剂， 生成 3-(p-trifluoromethylphenyl)-1-(1H-indenylidene)-5H-dibenzo-[a.d]cycloheptene
  参考文献：
  名称：

  Dications of 3-Phenyl-indenylidene Dibenzo[a.d]cycloheptene: The Role of Charge in the Antiaromaticity of Cationic Systems

  摘要：

  Dications of 9-(3-phenyl-1H-inden-1-ylidene)-5H-dibenzo[a,d]cycloheptene, 5(2+), were prepared by oxidation with SbF5 in SO2CIF, and their magnetic behavior was compared to dications of 9-(3-phenyl-1H-inden-1-ylidene)-9H-fluorene, 2(2+). The good correlation between the experimental H-1 NMR shifts for the dications that were oxidized cleanly and the chemical shifts calculated by the GAIO method supported the use of the nucleus independent chemical shifts, NICS, to evaluate the antiaromaticity of the indenyl systems of 2(2+)/5(2+) and their unsubstituted parent compounds, 6(2+) and 7(2+), as well as the antiaromaticity of the fluorenyl system of 2(2+)/7(2+) and the aromaticity of the dibenzotropylium system of 5(2+)/6(2+). Antiaromaticity was shown to be directly related to the amount of charge in the antiaromatic systems, with the antiaromatic systems more responsive to changes in the calculated NBO charge than the aromatic systems. The antiaromaticity was also shown to be directly related to the amount of delocalization in the ring system. The aromaticity of the dibenzotropylium system was much less responsive to changes in the amount of charge in the tropylium system, because the aromatic system was much more completely delocalized. Thus, antiaromatic species are more sensitive probes of delocalization than aromatic ones.

  DOI：

  10.1021/jo102220y
• 作为产物：
  描述：

  (4-溴苯基)乙炔 在 正丁基锂 、 dichloro(2-picolinato)gold(III) 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 6.67h， 生成 1-(4-bromophenyl)-1H-indene
  参考文献：
  名称：

  金用于生成和控制通气的Barbaralyl阳离子

  摘要：

  与具有两种身份的青蛙王子相比，异形的野蛮人阳离子以181400个简并形式的混合物形式存在，因此显得苍白。发现金催化的7-炔基环庚-1,3,5-三烯的环异构化是通过助熔的barbaralyl中间体进行的（参见方案）。可以通过选择金络合物来控制中间体向1或2取代的茚基的演化。

  DOI：

  10.1002/anie.201207682

文献信息

• METALLOCENE COMPOUND, CATALYST FOR OLEFIN POLYMER, METHOD FOR PRODUCING OLEFIN POLYMER, AND OLEFIN POLYMER
  申请人：JAPAN POLYETHYLENE CORPORATION

  公开号：US20160009838A1

  公开（公告）日：2016-01-14

  The invention provides a metallocene compound and an olefin polymerization catalyst for use for a catalyst for producing an olefin polymer having a sufficiently high molecular weight while maintaining excellent copolymerizability at a polymerization temperature and under polymerization conditions industrially advantageous in polymerization of an olefin such as ethylene or the like, and provides a method for producing nan olefin polymer using the catalyst. The metallocene compound of the present invention is represented by the following general formula [I]:

  该发明提供了一种茂金属化合物和烯烃聚合催化剂，用于生产具有足够高分子量的烯烃聚合物的催化剂，同时在聚合温度和聚合条件下保持出色的共聚能力，从而在像乙烯等烯烃的聚合中具有工业优势，并提供了一种使用该催化剂生产烯烃聚合物的方法。本发明的茂金属化合物由以下一般式[I]表示：
• Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer
  申请人：JAPAN POLYETHYLENE CORPORATION

  公开号：US10005864B2

  公开（公告）日：2018-06-26

  The invention provides a specific metallocene compound and an olefin polymerization catalyst for use for a catalyst for producing an olefin polymer having a sufficiently high molecular weight while maintaining excellent copolymerizability at a polymerization temperature and under polymerization conditions industrially advantageous in polymerization of an olefin such as ethylene or the like, and provides a method for producing an olefin polymer using the catalyst.

  本发明提供了一种特定的茂金属化合物和一种烯烃聚合催化剂，用于生产一种烯烃聚合物的催化剂，该聚合物具有足够高的分子量，同时在聚合温度和聚合条件下保持优异的共聚合性，在乙烯等烯烃聚合中具有工业优势，本发明还提供了一种使用该催化剂生产烯烃聚合物的方法。
• METHOD FOR PRODUCING OLEFIN POLYMER WITH A METALLOCENE BASED CATALYST, AND OLEFIN POLYMER
  申请人：Japan Polyethylene Corporation

  公开号：EP2963045B1

  公开（公告）日：2016-12-21
• US9783625B2
  申请人：——

  公开号：US9783625B2

  公开（公告）日：2017-10-10
• Dications of 3-Phenyl-indenylidene Dibenzo[<i>a</i>.<i>d</i>]cycloheptene: The Role of Charge in the Antiaromaticity of Cationic Systems
  作者：Nancy S. Mills、Francine E. Cheng、Joseph M. Baylan、Cornelia Tirla、Jennifer L. Hartmann、Kiran C. Patel、Bart J. Dahl、Sean P. McClintock

  DOI：10.1021/jo102220y

  日期：2011.1.21

  Dications of 9-(3-phenyl-1H-inden-1-ylidene)-5H-dibenzo[a,d]cycloheptene, 5(2+), were prepared by oxidation with SbF5 in SO2CIF, and their magnetic behavior was compared to dications of 9-(3-phenyl-1H-inden-1-ylidene)-9H-fluorene, 2(2+). The good correlation between the experimental H-1 NMR shifts for the dications that were oxidized cleanly and the chemical shifts calculated by the GAIO method supported the use of the nucleus independent chemical shifts, NICS, to evaluate the antiaromaticity of the indenyl systems of 2(2+)/5(2+) and their unsubstituted parent compounds, 6(2+) and 7(2+), as well as the antiaromaticity of the fluorenyl system of 2(2+)/7(2+) and the aromaticity of the dibenzotropylium system of 5(2+)/6(2+). Antiaromaticity was shown to be directly related to the amount of charge in the antiaromatic systems, with the antiaromatic systems more responsive to changes in the calculated NBO charge than the aromatic systems. The antiaromaticity was also shown to be directly related to the amount of delocalization in the ring system. The aromaticity of the dibenzotropylium system was much less responsive to changes in the amount of charge in the tropylium system, because the aromatic system was much more completely delocalized. Thus, antiaromatic species are more sensitive probes of delocalization than aromatic ones.