2,7-dimesitylfluorene | 170242-36-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2,7-dimesitylfluorene
• 英文别名: 2,7-Dimesityl-9H-fluorene；2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene
• CAS: 170242-36-1
• 化学式: C₃₁H₃₀
• 分子量: 402.579
• InChiKey: HRTBJVPOLKULEE-UHFFFAOYSA-N

物化性质

• 沸点：
  544.4±50.0 °C(Predicted)
• 密度：
  1.069±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 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-丙-2-亚基茚 、 2,7-dimesitylfluorene 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 以66%的产率得到9-[1-(inden-3-yl)-1-methylethyl]-2,7-bis(2,4,6-trimethylphenyl)-fluorene
  参考文献：
  名称：

  Novel C1 symmetric zirconocenes containing substituted fluorenyl moieties for the polymerization of olefins

  摘要：

  The synthesis and polymerization behavior of four new asymmetric ansa-metallocenes containing a 2,7-disubstituted fluorenyl moiety and an indenyl moiety is reported. Three of the four catalysts, dichloro[eta(5)-1-indenyl(1-methylethylidene)-[2,7-bis-(2,4,6-trimethylphenyl)-eta(5)-9-fluorenyl]zirconium (11), dichloro[eta(5)-1-indenyl(I-methylethylidene)-[2,7-bis-(2,6-dimethylphenyl)-eta(5)-9-fluorenyl]zirconium (12), and dichloro[eta(5)-1-indenyl(l-methylethylidene)-[2,7-bis-(2-methylphenyl)-eta(5)-9-fluorenyl] zirconium (13) were highly active for the polymerization of both ethylene and propylene when activated with excess methylaluminoxane (MAO). Dichloro[eta(5)-1-indenyl(1-methylethylidene)-[2,7-dibenzyl-eta(5)-9-fluorenyl]zirconium (14) was poorly active for the polymerization of ethylene and was therefore not evaluated as a propylene catalyst. The activities for propylene polymerizations with catalysts 11 - 13 increased as the size of the substituents around the ligand framework increased, following the trend 11 > 12 > 13. Molecular weights of the polypropylenes decreased as the temperature was increased. The molecular weight data follows the same trend (11 > 12 > 13) as the activity data, wherein the largest substituents gave rise to the highest molecular weights. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00239-0
• 作为产物：
  描述：

  2,7-二碘芴 、 alkaline earth salt of/the/ methylsulfuric acid 在 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) 作用下， 以 乙醚 为溶剂， 生成 2,7-dimesitylfluorene
  参考文献：
  名称：

  Syndiospezifische polymerisation von propylen: 2- und 2,7-substituierte metallocenkomplex des typs (C13H8−nRnCR′2C5H4)MCl2 (n = 1,2; R  alkoxy, alkyl, aryl, hal; R′  Me, Ph; M  Zr, Hf)

  摘要：

  Seventeen new catalyst. precursors for the syndiospecific polymerization of propylene are presented. The new metallocene complexes are substituted in the positions 2 and 7 of the fluorenlidene fragment by MeO-, halogen-, alkyl- and aryl groups. The focus is directed on effective new synthetic routes to substituted fluorenes and the preparation of Be catalyst precursors. In addition first polymerization results are reported.

  DOI：

  10.1016/0022-328x(95)06045-x

文献信息

• Unbridged cyclopentadienyl-fluorenyl complexes of zirconium as catalysts for homogeneous olefin polymerization
  作者：Michael A. Schmid、Helmut G. Alt、Wolfgang Milius

  DOI：10.1016/0022-328x(95)05640-b

  日期：1995.10

  which can be converted to the corresponding metallocene dimethyl complexes (3a–3e). In combination with methylaluminoxane (MAO), 2a–2n show a higher catalytic activity as homogeneous ethylene polymerization catalysts than (C5H5)2ZrCl2. Compound 2d (R1 = 2-Me; R2 = 7-Me) was characterized by an X-ray structure analysis.

  各种锂芴基化合物Li（C 13 H 7 R 1 R 2）（R 1，R 2 = H，烷基或芳基）（1a-1n）与C 5 H 5 ZrCl 3的反应导致未桥连的芴基配合物（C 5 H 5）（C 13 H 7 R 1 R 2）ZrCl 2（2a-2n）类型的金属，可以转化为相应的茂金属二甲基配合物（3a-3e）。与甲基铝氧烷（MAO）结合使用，2a–2n与（C 5 H 5）2 ZrCl 2相比，作为均相乙烯聚合催化剂具有更高的催化活性。通过X射线结构分析表征化合物2d（R 1＝ 2-Me； R 2＝ 7-Me）。
• C2-symmetric bis(fluorenyl) complexes: four complex models as potential catalysts for the isospecific polymerization of propylene
  作者：Helmut G. Alt、Roland Zenk

  DOI：10.1016/0022-328x(95)06008-k

  日期：1996.4

  Four possible structures of C2-symmetric bis(fluorenyl)zirconium complexes are presented. Three bis(fluorenyl)zirconocene complexes have been prepared and tested for the polymerization of propylene and ethylene. rac / meso-Dichloro[η10-(1,2-ethanediyl)bis ( seems to be the most active polymerization catalysts for ethylene.

  提出了C 2对称的双（芴基）锆配合物的四种可能的结构。已经制备了三种双（芴基）锆茂金属配合物并测试了丙烯和乙烯的聚合反应。外消旋/内消旋-二氯[ η 10 - （1,2-乙二基）双（似乎是乙烯最活跃的聚合催化剂。
• Syndiospezifische polymerisation von propylen: Neue metallocenkomplexes des typs (C13H8−nRnCR′R″C5H4)MCl2n = 0,2; R = Alkyl, Aryl, Hal; R′, R″ = H, Alkyl, Aryl; M = Zr, Hf) unter besonderer berücksichtigung verschiedener brückensubstituenten
  作者：Helmut G Alt、Roland Zenk

  DOI：10.1016/0022-328x(96)06133-5

  日期：1996.7

  Eight new catalyst precursors with C-s-symmetry and of the general formula (C(13)H(8-n)R(n)CR'R '' C5H4)MCl(2) (n = 0, 2; R = Alkyl, Aryl, Hal; R', R '' = H, Alkyl, Aryl; M = Zr, Hf) have been synthesized and characterized by NMR spectroscopy, Complexes 1b-7b and 3c can be activated by MAO and are useful catalysts for the syndiospecific polymerization of propylene. First analytic results of the various polypropylene samples are discussed.
• Novel C1 symmetric zirconocenes containing substituted fluorenyl moieties for the polymerization of olefins
  作者：John J. Esteb、Mandy Bergeron、Carol N. Dormady、James C.W. Chien、Marvin D. Rausch

  DOI：10.1016/s0022-328x(03)00239-0

  日期：2003.5

  The synthesis and polymerization behavior of four new asymmetric ansa-metallocenes containing a 2,7-disubstituted fluorenyl moiety and an indenyl moiety is reported. Three of the four catalysts, dichloro[eta(5)-1-indenyl(1-methylethylidene)-[2,7-bis-(2,4,6-trimethylphenyl)-eta(5)-9-fluorenyl]zirconium (11), dichloro[eta(5)-1-indenyl(I-methylethylidene)-[2,7-bis-(2,6-dimethylphenyl)-eta(5)-9-fluorenyl]zirconium (12), and dichloro[eta(5)-1-indenyl(l-methylethylidene)-[2,7-bis-(2-methylphenyl)-eta(5)-9-fluorenyl] zirconium (13) were highly active for the polymerization of both ethylene and propylene when activated with excess methylaluminoxane (MAO). Dichloro[eta(5)-1-indenyl(1-methylethylidene)-[2,7-dibenzyl-eta(5)-9-fluorenyl]zirconium (14) was poorly active for the polymerization of ethylene and was therefore not evaluated as a propylene catalyst. The activities for propylene polymerizations with catalysts 11 - 13 increased as the size of the substituents around the ligand framework increased, following the trend 11 > 12 > 13. Molecular weights of the polypropylenes decreased as the temperature was increased. The molecular weight data follows the same trend (11 > 12 > 13) as the activity data, wherein the largest substituents gave rise to the highest molecular weights. (C) 2003 Elsevier Science B.V. All rights reserved.
• Syndiospezifische polymerisation von propylen: 2- und 2,7-substituierte metallocenkomplex des typs (C13H8−nRnCR′2C5H4)MCl2 (n = 1,2; R  alkoxy, alkyl, aryl, hal; R′  Me, Ph; M  Zr, Hf)
  作者：Helmut G. Alt、Roland Zenk

  DOI：10.1016/0022-328x(95)06045-x

  日期：1996.9

  Seventeen new catalyst. precursors for the syndiospecific polymerization of propylene are presented. The new metallocene complexes are substituted in the positions 2 and 7 of the fluorenlidene fragment by MeO-, halogen-, alkyl- and aryl groups. The focus is directed on effective new synthetic routes to substituted fluorenes and the preparation of Be catalyst precursors. In addition first polymerization results are reported.