2-(cyclopentadienyl)-2-(2,7-dibromofluoren-9-yl)propane | 940885-11-0

• 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: 2-(cyclopentadienyl)-2-(2,7-dibromofluoren-9-yl)propane
• 英文别名: 2,7-dibromo-9-(1-cyclopenta-1,3-dien-1-yl-1-methylethyl)-9H-fluorene；2,7-dibromo-9-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-9H-fluorene
• CAS: 940885-11-0
• 化学式: C₂₁H₁₈Br₂
• 分子量: 430.182
• InChiKey: BDMTUGJTWLBMLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 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：

  zirconium tetrachloride bis(tetrahydrofuran) complex 、 2,7-dibromo-9-(1-cyclopenta-1,4-dien-1-yl-1-methylethyl)-9H-fluorene 、 2-(cyclopentadienyl)-2-(2,7-dibromofluoren-9-yl)propane 在 正丁基锂 作用下， 以 hexanes 、 乙醚 为溶剂， 反应 48.0h， 以44%的产率得到dichloro[η(10)-2,4-cyclopentadien-1-ylidene(1-methylethylidene)(2,7-dibromo-9H-fluoren-9-ylidene)]zirconium
  参考文献：
  名称：

  WO2007/70041

  摘要：

  公开号：
• 作为产物：
  描述：

  6,6-二甲基-5-亚甲基-1,3-环戊二烯 、 2,7-二溴芴 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 生成 2,7-dibromo-9-(1-cyclopenta-1,4-dien-1-yl-1-methylethyl)-9H-fluorene 、 2-(cyclopentadienyl)-2-(2,7-dibromofluoren-9-yl)propane
  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

• Halogen substituted metallocene compounds for olefin polymerization
  申请人：Voskoboynikov Z. Alexander

  公开号：US20070135595A1

  公开（公告）日：2007-06-14

  A metallocene compound is represented by the formula (1): wherein: M is a Group 3, 4, 5 or 6 transition metal atom, or a lanthanide metal atom, or actinide metal atom, preferably a Group 4 transition metal atom selected from titanium, zirconium or hafnium; E is a substituted or unsubstituted monocyclic or polycyclic arenyl ligand pi-bonded to M; A is a substituted or unsubstituted polycyclic arenyl ligand that is pi-bonded to M and has a different ring structure than the E ligand; at least one of the A and E ligands includes at least one halogen substituent directly bonded to an sp 2 carbon at a bondable ring position; Y is a bridging group containing at least one Group 13, 14, 15, or 16 element and any single position of the ring structure of A and to any single position of the ring structure of E; and y is zero or 1, indicating the absence (y=0) or presence (y=1) of Y; and each X is a univalent anionic ligand, or two X are joined and bound to the metal atom to form a metallocycle ring, or two X are joined to form a chelating ligand, a diene ligand, or an alkylidene ligand; provided that when E is an unsubstituted cyclopentadienyl ligand, either y is one or A is not 2-bromofluorenyl or 2,7-dibromofluorenyl.

  一个茂金属化合物的化学式如下（1）：其中：M是3、4、5或6族过渡金属原子，或镧系金属原子，或锕系金属原子，最好是从钛、锆或铪中选择的4族过渡金属原子；E是与M形成π键的取代或未取代的单环或多环芳基配体；A是与M形成π键且具有不同环结构于E配体的取代或未取代的多环芳基配体；A和E中至少一个包括至少一个卤素取代基，直接连接到可成键环位置的sp2碳上；Y是一个含有至少一个13、14、15或16族元素的桥联基，连接到A和E的环结构的任意单位置；y为0或1，表示Y的存在（y=0）或不存在（y=1）；每个X是一个一价阴离子配体，或两个X连接并与金属原子结合形成一个茂环，或两个X连接形成螯合配体、二烯配体或烷基亚甲基配体；但当E是未取代的环戊二烯基配体时，y为1或A不是2-溴萘基或2,7-二溴萘基。
• Preparation of substituted bridged indenyl and related ligands
  申请人：Voskoboynikov Z. Alexander

  公开号：US20070135596A1

  公开（公告）日：2007-06-14

  A process for preparing a chelating ligand of the formula (II) from a chelating ligand of the formula (I) via an sp 2 -sp 2 or sp 2 -sp 3 coupling reaction with an organometallic compound of the formula (III). wherein B is a bridging group that is bonded to L 1 and L 2 in formula (I) and to L 3 and L 4 in formula (II); L 1 is a substituted monocyclic or polycyclic ligand that comprises at least one chlorine, bromine, iodine, or sulfonate substituent, directly bonded to an sp 2 carbon atom of the ring structure of the ligand; L 2 is a monoanionic ligand; or L 2 may, independently, be defined as L 1 ; L 3 is the same group as L 1 , but said at least one chlorine, bromine, iodine, or sulfonate substituent is replaced with a hydrocarbyl, substituted hydrocarbyl, halocarbyl, or substituted halocarbyl fragment; L 4 is the same group as L 2 , though, when L 2 is defined as L 1 , L 4 may be the same as L 3 or L 1 ; R 1 is a hydrocarbyl, substituted hydrocarbyl, halocarbyl, or substituted halocarbyl; M 1 is an element of group 1, 2, 12, 13 or 14 of the Periodic Table of the Elements; each X 2 , if present, is selected independently from the group consisting of halogen atoms, the hydroxyl group, alkoxy groups, aryloxy groups, mesylate, tosylate and triflate; r is 1, 2 or 3, and t is 0, 1 or 2, where r+t corresponds to the oxidation number of M 1 .

  从化学配体的公式(I)通过与公式(III)的有机金属化合物进行sp2-sp2或sp2-sp3偶联反应，制备化学配体的公式(II)的方法。其中B是一个桥联基团，与公式(I)中的L1和L2以及公式(II)中的L3和L4结合；L1是一个取代的单环或多环配体，至少包含一个氯、溴、碘或磺酸酯取代基，直接与配体的环结构的sp2碳原子键合；L2是一个单负离子配体；或者L2可以独立地被定义为L1；L3与L1相同，但所述的至少一个氯、溴、碘或磺酸酯取代基被氢化碳基、取代的氢化碳基、卤代碳基或取代的卤代碳基片段所取代；L4与L2相同，但当L2被定义为L1时，L4可以与L3或L1相同；R1是一个氢化碳基、取代的氢化碳基、卤代碳基或取代的卤代碳基；M1是元素周期表第1、2、12、13或14组的元素；每个X2，如果存在，可独立地选择自卤素原子、羟基、烷氧基、芳基氧基、甲磺酸酯、对甲苯磺酸酯和三氟甲磺酸酯组成的群；r为1、2或3，t为0、1或2，其中r+t对应于M1的氧化数。
• HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：EP1963347A1

  公开（公告）日：2008-09-03
• US7550544B2
  申请人：——

  公开号：US7550544B2

  公开（公告）日：2009-06-23
• US7910783B2
  申请人：——

  公开号：US7910783B2

  公开（公告）日：2011-03-22