1,2,3,4,5,6,7,8-octafluoro-9-(pentafluorophenyl)-9H-fluorene | 63264-80-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 1,2,3,4,5,6,7,8-octafluoro-9-(pentafluorophenyl)-9H-fluorene
• 英文别名: 1,2,3,4,5,6,7,8-octafluoro-9-(pentafluorophenyl)fluorene；9-hydroperfluoro(9-phenylfluorene)；9-Hydroperfluor-9-phenylfluoren；1,2,3,4,5,6,7,8-Octafluoro-9-(pentafluorophenyl)-fluorene；1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene
• CAS: 63264-80-2
• 化学式: C₁₉HF₁₃
• 分子量: 476.196
• InChiKey: GLQWBYAOHPDZJH-UHFFFAOYSA-N

物化性质

• 沸点：
  276.1±40.0 °C(Predicted)
• 密度：
  1.781±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  32
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  1,2,3,4,5,6,7,8-octafluoro-9-(pentafluorophenyl)-9H-fluorene 在 甲基锂 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 0.5h， 生成 perfluoro(9-phenylfluorenyl)lithium
  参考文献：
  名称：

  Perfluorofluorenyl anions and their use as co-catalysts in the zirconocene-promoted polymerization of olefins

  摘要：

  Fluorofluorenes [1,2,3,4,5,6,7,8-octafluoro-9-(pentafluorophenyl)-9H-fluorene (OFPF), 1,2,3,4,5,6,7,8-octafluoro-9-(2,4-trifluoromethylphenyl)-9H-fluorene (OFTF), and 1,2,3,4,5,6,7,8-octafluorofluorene (OFF)] react with sodium hydride or with lithium alkyls to give fluorofluorenyl anions which have been characterized in solution by F-19 NMR spectroscopy. OFPF is deprotonated by ethylenediamine, by HMPT and by 1,7-diazo-bicyclo(5,4)-undec-7-ene (DBU), as shown by H-1 and F-19 NMR spectrometry. The new compound [rac-ethylene-bis(eta(5)-4,5,6,7-tetrahydroindenyl)]diallylzirconium (IV) (ZRAL), as prepared from [rac-ethylene-bis( (eta(5) -4,5,6,7-tetrahydroindenyl)]dichloridezirconium(IV) and allylmagnesium chloride, undergoes allyl abstraction with OFPF, CPh3[B(C6F5)(4)], and B(C6F5)(3) forming zirconium-containing cations, as established by H-1 and F-19 NMR spectrometry. Toluene/ pentafluoroanisole solutions of the fluorinated anions, in combination with ZRAL, catalyze the polymerization of ethylene, with an activity comparable to that of MAO or CPh3[B(C6F5)(4)], a remarkable increase of activity being observed with the ZRAL/OFPF system. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.07.105
• 作为产物：
  描述：

  1,2,3,4,5,6,7,8-octafluoro-9-hydroxy-9-pentafluorophenylfluorene 在 三溴化磷 、 水 作用下， 反应 0.5h， 以84%的产率得到1,2,3,4,5,6,7,8-octafluoro-9-(pentafluorophenyl)-9H-fluorene
  参考文献：
  名称：

  新型八氟芴化合物的合成，可变温度NMR研究和固态表征

  摘要：

  制备许多新的9-取代的八氟芴衍生物，溶液NMR研究以及八氟芴[1,2,3,4,5,6,7,8-八氟芴，C 13 H 2的固态结构的第一个实例˚F 8，1 ; 1,2,3,4,5,6,7,8-八氟-9-（五氟）苯基芴，C 19 HF 13，8 ; 1,1'，2,2'，3,3'，4,4'，5,5'，6,6'，7,7'，8,8'-十六氟-9,9'-联芴基，C 26 ħ 2 ˚F 16，11 ]报道。可变温度19已对9-芳基取代的化合物1,2,3,4,5,6,7,8-八氟-9-（五氟）苯基-9-羟基芴，C 19 HF 13 O，4，进行了F NMR研究。 1,2,3,4,5,6,7,8-八氟-9-（九氟-4'-联苯甲酰基）-9-羟基芴，C 25 HF 17 O，5和8以及旋转的高能垒已经确定了芳基的基团。较低的旋转势垒是观察化合物4相对于化合物8，而5不显示下面338 K. fluxional行为温度实验上执行的可变的结果8

  DOI：

  10.1016/j.jfluchem.2008.12.011

文献信息

• Activating composition of metallocene complexes in the catalysis of (co)polymerization processes of olefins
  申请人：Enichem S.p.A.

  公开号：US06596891B1

  公开（公告）日：2003-07-22

  An organometallic composition of a reaction product of a fluorinated organic compound of formula (I): wherein R1 to R8 are as described in the specification, m is 0 or 1; and an organometallic compound of formula (II): M′RnX(p−n)  (II) wherein M′, R, X, n and p are as described in the specification; a polymerization catalyst composition using the above organometallic composition and a metallocene complex a method of making the catalyst composition and using the catalyst composition to polymerize &agr;-olefins.

  一种有机金属化合物组合物，为一氟化有机化合物的反应产物，其化学式为(I)：其中R1至R8如规范中所述，m为0或1；以及一种有机金属化合物，其化学式为(II)：M′RnX(p−n) (II)，其中M′、R、X、n和p如规范中所述；一种聚合催化剂组合物，使用上述有机金属化合物和金属环烯复合物；一种制备催化剂组合物的方法，以及使用催化剂组合物对α-烯烃进行聚合的方法。
• Allyl-metallocene complexes and their use in the catalysis of (co) polymerization processes of alpha-olefins
  申请人：——

  公开号：US20040072678A1

  公开（公告）日：2004-04-15

  Allyl polyalkylcyclopentadienyl complex of a metal of group 4 of the periodic table, and its use in the preparation of a catalytic composition for the (co) polymerization of &agr;-olefins. said complex is advantageously stable in solution and rapidly forms catalytic compositions with a high activity without the necessity of effecting alkylating pretreatment.

  一种来自周期表第四族金属的烯丙基多烷基环戊二烯基配合物，以及其在制备用于(共)聚合α-烯烃的催化组合物时的使用。该配合物在溶液中具有优越的稳定性，并且不需要进行烷基化预处理即可快速形成高活性的催化组合物。
• Activating organometallic composition for the (co) polymerization of alpha-olefins comprising fluorinated cyclopentadienyl compounds
  申请人：——

  公开号：US20040198934A1

  公开（公告）日：2004-10-07

  An organometallic composition which can be used as activating component in a metallocene catalyst for the (co)polymerization of &agr;-olefins, comprises: (A) a fluorinated di-unsaturated cyclic compound, having a relatively acid hydrogen atom, (B) an organometallic compound sufficiently basic to react with the acid hydrogen of the above compound (A), and (C) a polar aprotic organic compound, not containing metallic atoms, having a dielectric constant, in the pure state, equal to or greater than 2, and a weak coordinating capacity. Said composition allows a metallocene catalytic system of the ionic type to be obtained, with a high activity in the (co)polymerization of olefins and a reduced content of metallic residue in the polymeric product thus obtained.

  一种可以用作金属茂催化剂中活性组分的有机金属化合物，用于α-烯烃的(共)聚合反应，包括：(A)一种含有相对酸性氢原子的氟代二烯环化合物，(B)一种有机金属化合物，足够碱性以与上述化合物(A)的酸性氢原子反应，以及(C)一种极性非脂肪有机化合物，不含金属原子，在纯态下具有介电常数等于或大于2的弱配位能力。该组合物可以获得离子型金属茂催化系统，在α-烯烃的(共)聚合反应中具有高的活性，并且所得到的聚合物产品中含有较少的金属残留物。
• Stabilized metallocene compounds of transition metals of group 4 and process for their preparation
  申请人：Polimeri Europa S.p.A.

  公开号：EP1403294A2

  公开（公告）日：2004-03-31

  A metallocene compound of a metal M of group 4 in the table of elements, comprising a cyclopentadienyl group and at least one oligomeric group R' bonded to M, having the following formula (II):         -(Ax Dy Uz) RI     (II) wherein: A represents any monomeric unit deriving from a vinylaromatic group polymerizable by means of anionic polymerization, having from 6 to 20 carbon atoms; D represents any monomeric unit deriving from a conjugated diolefin polymerizable by means of anionic polymerization, having from 4 to 20 carbon atoms; U represents any generic optional monomeric unit deriving from an unsaturated compound copolymerizable with any of the above conjugated diolefins D or vinylaromatic compounds A; RI represents hydrogen or a hydrocarbyl group having from 1 to 20 carbon atoms, each index "x" and "y" can be independently zero or an integer, provided the sum (x+y) is equal to or higher than 2, preferably between 2 and 50, more preferably between 2 and 25; "z" can be zero or an integer ranging from 1 to 20. Said complex can be used for the formation of catalytic systems, in particular for the (co)polymerization of olefins, with enhanced stability and a high activity, so as to enable transportation and storage for prolonged periods of time.

  一种元素表中第 4 族金属 M 的茂金属化合物，包括一个环戊二烯基团和至少一个与 M 键合的低聚物基团 R'，具有下式 (II)： -(Ax Dy Uz) RI (II) 其中 A 代表来自可通过阴离子聚合方式聚合的乙烯芳香族基团的任何单体单元，具有 6 至 20 个碳原子； D 代表源自可通过阴离子聚合方式聚合的共轭二烯烃的任何单体单元，具有 4 至 20 个碳原子； U 代表可与上述任何共轭二烯烃 D 或乙烯芳香族化合物 A 共聚的不饱和化合物衍生的任 何通用任选单体单元； RI 代表氢或具有 1 至 20 个碳原子的烃基、 每个指数 "x "和 "y "可以独立地为零或整数，条件是总和（x+y）等于或大于 2，最好在 2 至 50 之间，更优选在 2 至 25 之间； z "可以是零，也可以是 1 到 20 之间的整数。 所述复合物可用于形成催化体系，特别是用于烯烃的（共）聚合，具有更强的稳定性和高活性，以便能够长期运输和储存。
• Catalytic composition for the (CO) polymerization of alpha-olefins
  申请人：Polimeri Europa S.p.A.

  公开号：EP1408054A1

  公开（公告）日：2004-04-14

  Catalytic composition for the (co) polymerization of ethylene and other α-olefins, including a metallocene complex of a metal M of group 4 of the periodic table or the product obtainable from the same combined with a suitable activator, wherein said metallocene complex includes at least one cyclopentadienyl group and at least one unsaturated hydrocarbyl organic group bonded to the metal M, having the following formula (I):         -(Ax Dy Uz) RI     (I)    wherein: A represents any monomeric unit deriving from a vinylaromatic group polymerizable by means of anionic polymerization, having from 6 to 20 carbon atoms; D represents any monomeric unit deriving from a conjugated diolefin polymerizable by means of anionic polymerization, having from 4 to 20 carbon atoms; U represents any generic optional monomeric unit deriving from an unsaturated compound co-polymerizable with any of the above conjugated diolefins D or vinylaromatic compounds A; RI represents hydrogen or a hydrocarbyl group having from 1 to 20 carbon atoms, each index "x" and "y" can be independently zero or an integer, provided the sum (x+y) is equal to or higher than 2, preferably between 2 and 50, more preferably between 2 and 25; "z" can be zero or an integer ranging from 1 to 20.

  用于乙烯和其他α-烯烃（共）聚合的催化组合物，包括元素周期表第 4 族金属 M 的茂金属络合物或由其与合适的活化剂结合得到的产物，其中所述茂金属络合物包括至少一个环戊二烯基团和至少一个与金属 M 结合的不饱和烃基有机基团，具有下式(I)： -(Ax Dy Uz) RI (I) 其中 A 代表来自可通过阴离子聚合方式聚合的乙烯芳香族基团的任何单体单元，具有 6 至 20 个碳原子； D 代表源自可通过阴离子聚合方式聚合的共轭二烯烃的任何单体单元，具有 4 至 20 个碳原子； U 代表从可与上述任何共轭二烯烃 D 或乙烯基芳香族化合物 A 共聚合的不饱和化合物衍生出的任何通用任选单体单元； RI 代表氢或具有 1 至 20 个碳原子的烃基、 每个指数 "x "和 "y "可以独立地为零或整数，条件是总和（x+y）等于或大于 2，最好在 2 至 50 之间，更优选在 2 至 25 之间； z "可以是零，也可以是 1 到 20 之间的整数。