3-tert-butyl-6,6-diphenylfulvene | 425380-91-2

• 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-6,6-diphenylfulvene
• 英文别名: 6,6'-diphenyl-3-tert-butylfulvene；2-tert-butyl-6,6-diphenyl fulvene；[(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene
• CAS: 425380-91-2
• 化学式: C₂₂H₂₂
• 分子量: 286.417
• InChiKey: KSFWLENEFREVLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  芴 、 3-tert-butyl-6,6-diphenylfulvene 在 正丁基锂 作用下， 以 乙醚 为溶剂， 反应 168.0h， 以67%的产率得到(3-tert-butylcyclopentadienyl)(fluorenyl)diphenylmethane
  参考文献：
  名称：

  PROPYLENE COPOLYMER, POLYPROPYLENE COMPOSITION AND USES THEREOF, TRANSITION METAL COMPOUND AND OLEFIN POLYMERIZATION CATALYST

  摘要：

  一个以以下公式（2a）表示的过渡金属化合物：

  公开号：

  US20080312461A1
• 作为产物：
  描述：

  二苯甲酮 、 1-tert-butyl-1,4-cyclopentadiene 在 正丁基锂 、 六甲基磷酰三胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 25.0h， 以40%的产率得到3-tert-butyl-6,6-diphenylfulvene
  参考文献：
  名称：

  PROPYLENE COPOLYMER, POLYPROPYLENE COMPOSITION AND USES THEREOF, TRANSITION METAL COMPOUND AND OLEFIN POLYMERIZATION CATALYST

  摘要：

  一个以以下公式（2a）表示的过渡金属化合物：

  公开号：

  US20080312461A1

文献信息

• Polypropylene having low isotacticity and relatively high melting point
  申请人：——

  公开号：US20040030051A1

  公开（公告）日：2004-02-12

  A propylene polymer having the following characteristics: (E) 50≦mmmm: 85%; (F) Tm≦50.&egr; 0.012 (mmmm) ; (G) Esol≦5 wt %; and (H) 2,1-regioerrors≦0.05%; wherein mmmm represents the isotacity ba the pentad indication, Tm represents the melting point of the polymer, Esol represents the posrtion of the polymer soluble in boiling diethyl ether and 2,1 regioerrors represents the head-to-head insertions on the polymer chain.

  一种丙烯聚合物，具有以下特性：（E）50≤mmmm≤85％；（F） Tm≤50.0.012（mmmm）；（G）Esol≤5重量％；（H）2,1- regioerrors≤0.05％；其中mmmm表示五元指示中的同构度，Tm表示聚合物的熔点，Esol表示在沸腾的二乙醚中可溶的聚合物的部分，2,1-regioerrors表示聚合物链上的头对头插入。
• Propylene copolymer, polypropylene composition, and uses thereof, transition metal compounds and catalyst for olefin polymerization
  申请人：Ikenaga Shigenobu

  公开号：US20060276607A1

  公开（公告）日：2006-12-07

  The present invention provides a propylene/1-butene random copolymer (PBR) having excellent flexibility, impact resistance, heat resistance and low-temperature heat-seal properties, a polypropylene composition containg the copolymer, a sheet, film or stretched film comprising the composition and a composite film having a layer of the composition. The propylene/1-butene random copolymer contains 60 to 90 mol % of propylene units and 10 to 40 mol % of 1-butene units and has a triad isotacticity of not less than 85% and not more than 97.5%, a molecular weight distribution (Mw/Mn) of from 1 to 3, an intrinsic viscosity of from 0.1 to 12 dl/g, a melting point (Tm) of from 40 to 120° C., and satisfies the following relation 146 exp(−0.022M)≧ Tm ≧125 exp(−0.032M) wherein Tm represents a melting point and M (mol %) represents a content of 1-butene constituent units. The invention, further, provides a transition metal compound useful as an olefin polymerization catalyst and an olefin polymerization catalyst containing the transition metal compound. The transition metal compound is represented by the following formula (2a): wherein each of R 1 and R 3 is hydrogen, R 2 and R 4 are selected from a hydrocarbon group and silicon-containing group, R 5 to R 13 are selected from hydrogen, a hydrocarbon group and silicon-containing group, and adjacent substituent groups R 5 to R 12 may be linked to form a ring. R 14 is an aryl group, and R 13 and R 14 may be linked to form a ring. M is a Group 4 transition metal, Y is a carbon atom, Q is halogen, etc, and j is an integer of 1 to 4.

  本发明提供一种具有优异的柔韧性、抗冲击性、耐热性和低温热封性能的丙烯/1-丁烯随机共聚物（PBR），以及包含该共聚物的聚丙烯组合物、由该组合物制成的片材、薄膜或拉伸膜以及具有该组合物层的复合膜。该丙烯/1-丁烯随机共聚物含有60到90摩尔％的丙烯单元和10到40摩尔％的1-丁烯单元，三元等规度不小于85％且不大于97.5％，分子量分布（Mw/Mn）为1到3，固有粘度为0.1到12 dl/g，熔点（Tm）为40到120℃，并满足以下关系式146 exp（-0.022M）≥Tm≥125 exp（-0.032M），其中Tm表示熔点，M（摩尔％）表示1-丁烯组分单元的含量。本发明还提供一种过渡金属化合物，可用作烯烃聚合催化剂，以及含有该过渡金属化合物的烯烃聚合催化剂。该过渡金属化合物由以下式（2a）表示：其中R1和R3分别为氢，R2和R4选自烃基和含硅基，R5到R13选自氢、烃基和含硅基，相邻的取代基R5到R12可连接形成环。R14为芳基，R13和R14可连接形成环。M为4族过渡金属，Y为碳原子，Q为卤素等，j为1到4的整数。
• Propylene copolymer, polypropylene composition and uses thereof, transition metal compound and olefin polymerization catalyst
  申请人：Mitsui Chemicals, Inc.

  公开号：US07728078B2

  公开（公告）日：2010-06-01

  A polypropylene composition containing a propylene/1-butene random copolymer which contains 60 to 90 mol % of propylene units and 10 to 40 mol % of 1-butene units and has a triad isotacticity of not less than 85% and not more than 97.5%, a molecular weight distribution of from 1 to 3, an intrinsic viscosity of from 0.1 to 12 dl/g, a melting point of from 40 to 75° C. and a crystallization rate at 45° C. of 10 minutes or less, and satisfying the following relation, 146 exp (−0.022M)≧Tm≧125 exp (−0.032M), and an olefin catalyst for preparation thereof.

  一种聚丙烯组合物，包含丙烯/1-丁烯随机共聚物，其中含有60至90摩尔％的丙烯单元和10至40摩尔％的1-丁烯单元，三元立构性不低于85％且不高于97.5％，分子量分布为1至3，固有粘度为0.1至12 dl/g，熔点为40至75°C，45°C结晶速率为10分钟或更短，并满足以下关系，146 exp（-0.022M）≥ Tm≥ 125 exp（-0.032M），以及制备该组合物的烯烃催化剂。
• Polypropylene composite film comprising a metallocene-catalyzed propylene/1-butene random copolymer
  申请人：Mitsui Chemicals, Inc.

  公开号：US07767313B2

  公开（公告）日：2010-08-03

  A polypropylene composite film having a propylene/1-butene random copolymer which has 60 to 90 mol % of propylene units and 10 to 40 mol % of 1-butene units and has a triad isotacticity of not less than 85% and not more than 97.5%, a molecular weight distribution of from 1 to 3, an intrinsic viscosity of from 0.1 to 12 dl/g, a melting point of from 40 to 75° C. and a crystallization rate at 45° C. of 10 minutes or less, and satisfying the following relation, 146 exp (−0.022M)≧Tm≧125 exp (−0.032M), and an olefin catalyst for preparation thereof.

  一种聚丙烯复合薄膜，其中包含聚丙烯/1-丁烯随机共聚物，其具有60至90摩尔％的丙烯单元和10至40摩尔％的1-丁烯单元，并具有不少于85％且不超过97.5％的三元同形性，分子量分布在1至3之间，固有粘度在0.1至12 dl / g之间，熔点在40至75°C之间，45°C结晶速率为10分钟或更短，并满足以下关系，146exp（−0.022M）≥Tm≥125exp（−0.032M），以及用于制备该复合薄膜的烯烃催化剂。
• New <i>C</i>₁-Symmetric Ph₂C-Bridged Multisubstituted <i>ansa</i>-Zirconocenes for Highly Isospecific Propylene Polymerization: Synthetic Approach via Activated Fulvenes
  作者：Evgeny Kirillov、Nicolas Marquet、Abbas Razavi、Vincenzo Belia、Frank Hampel、Thierry Roisnel、John A. Gladysz、Jean-François Carpentier

  DOI：10.1021/om100289y

  日期：2010.11.8

  The synthesis of multisubstituted diphenylmethylene-bridged fluorenyl-cyclopentadienyl proligands Ph2C(3,6-tBu(2)FluH)(3-R-1-5-(RC5H3)-C-2) (Flu = fluorenyl; R-1 = tert-butyl, R-2 = H (2a); R-1 = tert-butyl, R-2 = Me (2b); R-1 = cumyl, R-2 = Me (2c)) was developed using a nucleophilic addition protocol based on regular and activated fulvenes. Two highly congested proligands (2b,c) were prepared in a two-step procedure, starting first by addition of [3,6-tBu(2)Flu]Li-+(-) onto 6,6'-bis(p-chlorophenyl)fulvenes, followed by a Pd-catalyzed reductive dechlorination. The X-ray crystal structures of 2a and 2b center dot CH2Cl2 were determined. These revealed a preorganized sandwich-like positioning of the fluorenyl and cyclopentadienyl plane fragments, similar to that observed in the metallocenes. The corresponding dichlorozirconium complexes Ph2C(3,6-tBu(2)Flu)(3-R-1-5-R-2-C5H2)}ZrCl2 (R-1 = tert-butyl, R-2 = H (3a); R-1 = tert-butyl, R-2 = Me (3b); R-1 = cumyl, R-2 = Me (3c)) were prepared by salt metathesis and characterized by elemental analysis, NMR spectroscopy, and X-ray crystallography (for 3a,c). These C-1-symmetric zirconocenes exist as racemic mixtures of two enantiomers, arising from planar chirality at the Cp ring. When activated with MAO, 3a,b showed high activity in the polymerization of propylene (5020 and 3580 kg of iPP mol(-1) h(-1), respectively; toluene solution, 60 degrees C), affording highly isotactic ([m(4)] 94.0%) polymers with molecular weights in the range M-w = 30 000-175 000, which are similar to those obtained with the corresponding CMe2-bridged catalysts. No activity was observed with the 3c/MAO system, which was proposed to be due to a deactivation involving a cumyl phenyl ring. This was supported by OFT computations on the cationic species [Ph2C(3,6-tBu(2)Flu)(3-cumyl-5-Me-C5H2)}ZrMe](+) which revealed facile coordination of the phenyl ring to the metal center, followed by C-H(phenyl) activation at the ortho position with concomitant elimination of methane; propylene insertion into the resulting ortho-metalated species was found to be thermodynamically unfavorable.