2-(4-methylphenyl)-4,5,6,7-tetrahydroindene | 156722-76-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 2-(4-methylphenyl)-4,5,6,7-tetrahydroindene
• 英文别名: 2-(4-Methylphenyl)-4,5,6,7-tetrahydroindene；2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indene
• CAS: 156722-76-8
• 化学式: C₁₆H₁₈
• 分子量: 210.319
• InChiKey: NNWGJQQWMGFSTI-UHFFFAOYSA-N

物化性质

• 沸点：
  342.7±17.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  三氯化钛 、 2-(4-methylphenyl)-4,5,6,7-tetrahydroindene 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 以45%的产率得到bis(2-(4-methylphenyl)-4,5,6,7-tetrahydroindenyl)dichlorotitanium
  参考文献：
  名称：

  Electronic effects of bis(2-aryl-4,5,6,7-tetrahydroindenyl)titanocene dichlorides on the catalytic epoxidation of trans-3-hexene

  摘要：

  The catalytic epoxidation of trans-3-hexene with electronically different bis(2-aryl-4,5,6,7-tetrahydroindenyl)titanium dichloride complexes in the presence of stoichiometric tert-butylhydroperoxide has been studied. The results show that bath electron donating (4-methoxyphenyl and 4-methylphenyl) and withdrawing (4-bromophenyl) groups on the 2-position of 4,5,6,7-tetrahydroindene produce an enhancement in the number of turnovers of epoxide formed during 15 h at 80 degrees C when compared to the 2-phenyl substituted complex. The facile preparation and purification of these previously unreported ligands and the corresponding titanocene complexes, and the results of the catalytic epoxidation of trans-3-hexene are described.

  DOI：

  10.1016/0022-328x(94)87052-7
• 作为产物：
  描述：

  1,4,5,6,7,7a-hexahydro-inden-2-one 在 cerium(III) chloride 、 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 0.5h， 生成 2-(4-methylphenyl)-4,5,6,7-tetrahydroindene
  参考文献：
  名称：

  Electronic effects of bis(2-aryl-4,5,6,7-tetrahydroindenyl)titanocene dichlorides on the catalytic epoxidation of trans-3-hexene

  摘要：

  The catalytic epoxidation of trans-3-hexene with electronically different bis(2-aryl-4,5,6,7-tetrahydroindenyl)titanium dichloride complexes in the presence of stoichiometric tert-butylhydroperoxide has been studied. The results show that bath electron donating (4-methoxyphenyl and 4-methylphenyl) and withdrawing (4-bromophenyl) groups on the 2-position of 4,5,6,7-tetrahydroindene produce an enhancement in the number of turnovers of epoxide formed during 15 h at 80 degrees C when compared to the 2-phenyl substituted complex. The facile preparation and purification of these previously unreported ligands and the corresponding titanocene complexes, and the results of the catalytic epoxidation of trans-3-hexene are described.

  DOI：

  10.1016/0022-328x(94)87052-7

文献信息

• New zirconocenes with 4,5,6,7-tetrahydroindene ligands. Synthesis and catalytic activity in the polymerization of ethylene and copolymerization of ethylene with hex-1-ene
  作者：A. F. Asachenko、A. A. Bush、A. Yu. Smirnov、O. S. Morozov、P. B. Dzhevakov、S.-Y. Kim、M.-S. Cho、K.-S. Lee、Y.-H. Lee、K.-J. Cho、S.-M. Lee、M. S. Nechaev

  DOI：10.1007/s11172-016-1485-x

  日期：2016.6

  with lithium salts of the corresponding tetrahydroindenes. Activated with methylalumoxane, these complexes exhibit high activity in polymerization of ethylene (up to 6.8∙106 g PE (mol Zr h)–1), as well as in copolymerization of ethylene and hex-1-ene (up to 8.6∙106 g PE (mol Zr h)–1).

  通过ZrCl4或(CpTMS)ZrCl3与相应四氢茚的锂盐反应，得到了一系列对称和非对称的四氢茚基锆配合物。用甲基铝氧烷活化，这些配合物在乙烯聚合（高达 6.8∙106 g PE (mol Zr h)–1）以及乙烯和己-1-烯的共聚（高达 8.6∙106 g PE (mol Zr h)–1)。
• NOVEL METALLOCENE COMPOUND, CATALYST COMPOSITION COMPRISING THE SAME, AND METHOD OF PREPARING OLEFIN-BASED POLYMERS USING THE SAME (AS AMENDED)
  申请人：LG CHEM, LTD.

  公开号：US20150225497A1

  公开（公告）日：2015-08-13

  This invention relates to a novel metallocene compound, a catalyst composition including the same and a method of preparing olefin-based polymers using the same. The use of the novel metallocene compound as a catalyst for preparing olefin-based polymers enables synthesis of an olefin-based polymer having a low molecular weight and a wide molecular weight distribution.

  本发明涉及一种新型的金属茂化合物，包括该化合物的催化剂组合物以及使用该组合物制备烯烃基聚合物的方法。使用该新型金属茂化合物作为制备烯烃基聚合物的催化剂，可以合成具有低分子量和广泛分子量分布的烯烃基聚合物。
• NOVEL METALLOCENE COMPOUND, CATALYST COMPOSITION COMPRISING SAME, AND OLEFINIC POLYMER PRODUCTION METHOD USING SAME
  申请人：LG Chem, Ltd.

  公开号：EP2862865B1

  公开（公告）日：2018-08-15
• Electronic effects of bis(2-aryl-4,5,6,7-tetrahydroindenyl)titanocene dichlorides on the catalytic epoxidation of trans-3-hexene
  作者：Ronald L. Halterman、Timothy M. Ramsey

  DOI：10.1016/0022-328x(94)87052-7

  日期：1994.2

  The catalytic epoxidation of trans-3-hexene with electronically different bis(2-aryl-4,5,6,7-tetrahydroindenyl)titanium dichloride complexes in the presence of stoichiometric tert-butylhydroperoxide has been studied. The results show that bath electron donating (4-methoxyphenyl and 4-methylphenyl) and withdrawing (4-bromophenyl) groups on the 2-position of 4,5,6,7-tetrahydroindene produce an enhancement in the number of turnovers of epoxide formed during 15 h at 80 degrees C when compared to the 2-phenyl substituted complex. The facile preparation and purification of these previously unreported ligands and the corresponding titanocene complexes, and the results of the catalytic epoxidation of trans-3-hexene are described.