3-tert-butyl-6-phenyl-1,6-dimethyl-fulvene | 877880-65-4

• 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: 3-tert-butyl-6-phenyl-1,6-dimethyl-fulvene
• 英文别名: 1-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene
• CAS: 877880-65-4
• 化学式: C₁₈H₂₂
• 分子量: 238.373
• InChiKey: LMSLWFSNMPNABR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  3-tert-butyl-6-phenyl-1,6-dimethyl-fulvene 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 189.05h， 生成 (phenyl)(methyl)methylene(3-tert-butyl-5-methylcyclopentadienyl)(1,1,3,6,8,8-hexamethyl-1H,8H-dicyclopenta[b,h]fluorenyl)
  参考文献：
  名称：

  WO2006/126608

  摘要：

  公开号：
• 作为产物：
  描述：

  苯乙酮 在 氢氧化钾 、 18-冠醚-6 作用下， 以 四氢呋喃 为溶剂， 反应 25.34h， 生成 3-tert-butyl-6-phenyl-1,6-dimethyl-fulvene
  参考文献：
  名称：

  WO2006/126608

  摘要：

  公开号：

文献信息

• Fluorene Derivative, Transition Metal Compound, Catalyst for Olefin Polymerization, and Process for Producing Olefin Polymer
  申请人：Funaya Munehito

  公开号：US20090253876A1

  公开（公告）日：2009-10-08

  Provided is a novel fluorene derivative which is useful as a catalyst component for olefin polymerization, a transition metal compound containing the fluorene derivative as a part of ligand, a catalyst for olefin polymerization containing the transition metal compound, and a process for producing olefin polymer. The fluorene derivative is characterized by being represented by the following general formula [I]: wherein R 1 , R 2 , R 3 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , and R 14 are each selected from hydrogen, a hydrocarbon group, and a silicon-containing group, and may be the same as or different from each other, R 4 and R 13 are each selected from hydrogen, a hydrocarbon group, a silicon-containing group, a sulfur-containing group, an oxygen-containing group, a nitrogen-containing group, and a halogen-containing group, and may be the same as or different from each other, and adjacent substituents of R 1 to R 14 may be bonded to each other to form a ring, except that the case where R 4 and R 5 , and R 12 and R 13 are each bonded to each other to form a vinylene group. Also provided is a bridged metallocene compound having both of the skeleton and a cyclopentadiene skeleton.

  提供的是一种新型的芴衍生物，可用作烯烃聚合催化剂组分，包含芴衍生物作为配体一部分的过渡金属化合物，包含过渡金属化合物的烯烃聚合催化剂，以及制备烯烃聚合物的方法。该芴衍生物的特点是由下列通式[I]表示：其中，R1、R2、R3、R5、R6、R7、R8、R9、R10、R11、R12和R14分别选自氢、烃基和含硅基团，可以相同或不同，R4和R13分别选自氢、烃基、含硅基团、含硫基团、含氧基团、含氮基团和卤素基团，可以相同或不同，R1至R14的相邻取代基团可以结合形成环，但R4和R5，以及R12和R13结合形成乙烯基团的情况除外。此外，还提供了一种具有骨架和环戊二烯骨架的桥式金属茂化合物。
• Process for Producing Propylene Polymer
  申请人：Funaya Munehito

  公开号：US20080097055A1

  公开（公告）日：2008-04-24

  A high molecular weight propylene polymer exhibiting high stereoregularity (isotactic) and high position selectivity can be effectively produced by polymerizing at least one monomer selected from propylene, α-olefins and polyenes in the presence of a catalyst for olefin polymerization comprising: (A) a bridged metallocene compound represented by the General Formula [I] given in claims (diphenylmethylene(3-tert-butyl-5-ethyl-cyclopentadienyl)(fluorenyl)zirconium dichloride, etc.); and (B) one or more compound(s) selected from (b-1) an organoaluminumoxy compound (b-2) a compound which reacts with the bridged metallocene compound (A) to form an ion pair, and (b-3) an organoaluminum compound.

  高分子量的丙烯聚合物表现出高立构性和高位置选择性，可通过在具有烯烃聚合催化剂的存在下聚合至少选择自丙烯，α-烯烃和多烯之一的单体来有效地生产，所述烯烃聚合催化剂包括：（A）一种由通用式[I]所表示的桥式金属茂化合物（例如，二苯基甲基（3-叔丁基-5-乙基环戊二烯基）（芴基）锆二氯化物）；和（B）一种或多种选择自（b-1）有机铝氧化合物（b-2）与桥式金属茂化合物（A）反应形成离子对的化合物，以及（b-3）有机铝化合物的化合物。
• Process for producing propylene polymer
  申请人：Mitsui Chemicals, Inc.

  公开号：US07879960B2

  公开（公告）日：2011-02-01

  A high molecular weight propylene polymer exhibiting high stereoregularity (isotactic) and high position selectivity can be effectively produced by polymerizing at least one monomer selected from propylene, α-olefins and polyenes in the presence of a catalyst for olefin polymerization comprising: (A) a bridged metallocene compound represented by the General Formula [I] given in claims (diphenylmethylene(3-tert-butyl-5-ethyl-cyclopentadienyl)(fluorenyl)zirconium dichloride, etc.); and (B) one or more compound(s) selected from (b-1) an organoaluminumoxy compound (b-2) a compound which reacts with the bridged metallocene compound (A) to form an ion pair, and (b-3) an organoaluminum compound.

  一种高分子量且具有高立构性（异构）和高位置选择性的丙烯聚合物可以通过在至少选择丙烯、α-烯烃和多烯之一的单体存在下，在烯烃聚合催化剂的存在下聚合而有效地生产，所述烯烃聚合催化剂包括：（A）一种桥联金属茂化合物，其表示为权利要求中给出的一般公式[I]（如二苯基甲基(3-叔丁基-5-乙基环戊二烯基)(芴基)锆二氯化物等）；以及（B）选择自（b-1）有机铝氧化合物、（b-2）与桥联金属茂化合物（A）反应形成离子对的化合物和（b-3）有机铝化合物中的一种或多种化合物。
• Fluorene derivative, transition metal compound, catalyst for olefin polymerization, and process for producing olefin polymer
  申请人：Mitsui Chemicals, Inc.

  公开号：US07834204B2

  公开（公告）日：2010-11-16

  Provided is a transition metal compound represented by the general formula [III]: wherein R23, R24, R25, R26, R27, and R28 are each independently selected from hydrogen, a hydrocarbon group, a silicon-containing group, a sulfur-containing group, an oxygen-containing group, a nitrogen-containing group, and a halogen-containing group, adjacent substituents of R23 to R28 are optionally bonded to each other to form a ring, M is a Group 4 transition metal, Y is carbon atom, Q is selected from halogen, a hydrocarbon group, an anionic ligand and a neutral ligand capable of coordinating with a lone electron pair, which is selected in the same combination or different combination, j is an integer of 1 to 4, and Z is a fluorenylidene group comprising a fluorene derivative formula [I] or formula [II]

  提供的是一种过渡金属化合物，其通式表示为[III]：其中R23、R24、R25、R26、R27和R28分别独立地选自氢、烃基、含硅基团、含硫基团、含氧基团、含氮基团和卤素基团，相邻的R23到R28的取代基可选择彼此相互连接形成环，M为4族过渡金属，Y为碳原子，Q选自卤素、烃基、带负电荷的配体和能够与孤电子对配位的中性配体，可以选择相同或不同的组合，j为1到4的整数，Z为包含芴衍生物式[I]或式[II]的芴烯基团。