5-Iodo-1,2,3,4-tetramethylcyclopentadiene | 351023-46-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: 5-Iodo-1,2,3,4-tetramethylcyclopentadiene
• 英文别名: 5-Iodo-1,2,3,4-tetramethylcyclopenta-1,3-diene
• CAS: 351023-46-6
• 化学式: C₉H₁₃I
• 分子量: 248.107
• InChiKey: UNOANOINZHEHEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 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：

  lithio-1,1-bis(4,4-dimethyl-2-oxazolinyl)ethane 、 5-Iodo-1,2,3,4-tetramethylcyclopentadiene 反应 8.0h， 以68%的产率得到1,1-bis(4,4-dimethyl-2-oxazolinyl)-1-(tetramethylcyclopentadiene)ethane
  参考文献：
  名称：

  Cyclopentadienyl-bis(oxazoline) Magnesium and Zirconium Complexes in Aminoalkene Hydroaminations

  摘要：

  A new class of cyclopentadiene-bis(oxazoline) compounds and their piano-stool-type organometallic complexes have been prepared as catalysts for hydroamination of aminoalkenes. The two compounds MeC(Ox(Me2))(2)C5H5 (Bo(M)CpH; Ox(Me2) = 4,4-dimethyl-2-oxazoline) and MeC-(Ox(Me2))(2)C5Me4H (Bo(M)Cp(tet)H ) are synthesized from C5R4HI (R = H, Me) and MeC(Ox(Me2))(2)Li. These cyclopentadiene-bis(oxazolines) are converted into ligands that support a variety of metal centers in piano-stool-type geometries, and here we report the preparation of Mg, Tl, Ti, and Zr compounds. Bo(M)CpH and Bo(M)Cp(tet)H react with MgMe2(O2C4H2)(2) to give the magnesium methyl complexes {Bo(M)Cp}MgMe and {Bo(M)Cp(tet)}MgMe. Bo(M)CpH and Bo(M)Cp(tet)H are converted to Bo(M)CpTl and Bo(M)Cp(tet)Tl by reaction with TIOEt. The thallium derivatives react with TiCl3(THF)(3) to provide [{Bo(M)Cp}TiCl(mu-Cl)](2) and [{Bo(M)Cp(tet)}TiCl(mu-Cl)](2), the former of which is crystallographically characterized as a dimeric species. Bo(M)CpH and Zr(NMe2)(4) react to eliminate dimethylamine and afford {Bo(M)Cp}Zr(NMe2)(3), which is crystallographically characterized as a monomeric four-legged piano-stool compound. {Bo(M)Cp}Zr(NMe2)(3), {Bo(M)Cp}MgMe, and {Bo(M)Cp(tet)}MgMe are efficient catalysts for the hydroamination/cyclization of aminoalkenes under mild conditions.

  DOI：

  10.1021/acs.organomet.5b00771
• 作为产物：
  描述：

  lithium tetramethylcyclopentadienide 在 碘 作用下， 以 正戊烷 为溶剂， 反应 12.0h， 以96%的产率得到5-Iodo-1,2,3,4-tetramethylcyclopentadiene
  参考文献：
  名称：

  Methylated Dihydropentafulvalenes and Pentafulvalenides from Tetramethylcyclopentadiene Derivatives

  摘要：

  分别用CuCl2或溴代四甲基环戊二烯（4）处理四甲基环戊二烯锂（1Li），以及锡化四甲基环戊二烯与4在PdBr2的存在下反应，得到两种异构体八甲基二氢五氟戊烯（3和5），其中5被去质子化为高度取代的环戊二烯阴离子。1Li转化为碘代四甲基环戊二烯（7），7与环戊二烯阴离子反应，根据条件不同，得到三种八甲基二氢五氟戊烯的互变异构体（8a、8b和8c）或仅得到8a。3和8a的晶体结构已经确定，8的异构体已经转化为相应的二阴离子。

  DOI：

  10.1055/s-2001-12769

文献信息

• Producing polyolefin products
  申请人：Univation Technologies, LLC

  公开号：US10239977B2

  公开（公告）日：2019-03-26

  Catalyst systems and methods for making and using the same are described. A method includes selecting a catalyst blend using a blend polydispersity index (bPDI) map. The polydispersity map is generated by generating a number of polymers for at least two catalysts. Each polymer is generated at a different hydrogen to ethylene ratio. At least one catalyst generates a higher molecular weight polymer and another catalyst generates a lower molecular weight polymer. A molecular weight for each polymer is measured. The relationship between the molecular weight of the polymers generated by each of the catalysts and the ratio of hydrogen to ethylene is determined. A family of bPDI curves for polymers that would be made using a number of ratios of a blend of the at least two catalysts for each of a number of ratios of hydrogen to ethylene. A ratio for the catalyst blend of the catalysts that generates a polymer having a bPDI that matches a polymer fabrication process is selected, and the product specific polyolefin is made using the catalyst blend.

  本文描述了催化剂系统及其制造和使用方法。一种方法包括使用混合多分散指数（bPDI）图选择催化剂混合物。聚分散指数图是通过为至少两种催化剂生成若干聚合物而产生的。每种聚合物都以不同的氢乙烯比生成。至少一种催化剂生成较高分子量的聚合物，另一种催化剂生成较低分子量的聚合物。测量每种聚合物的分子量。确定每种催化剂生成的聚合物分子量与氢与乙烯比率之间的关系。在氢气与乙烯的若干比率中，使用至少两种催化剂的混合物的若干比率，可制成聚合物的 bPDI 曲线系列。选择一种催化剂混合物的比率，该比率可生成具有与聚合物制造工艺相匹配的 bPDI 的聚合物，并使用该催化剂混合物制造特定产品聚烯烃。
• PRODUCING POLYOLEFIN PRODUCTS
  申请人：UNIVATION TECHNOLOGIES ,LLC

  公开号：US20170183433A1

  公开（公告）日：2017-06-29

  Catalyst systems and methods for making and using the same. A method of methylating a catalyst composition while substantially normalizing the entiomeric distribution is provided. The method includes slurrying the organometallic compound in dimethoxyethane (DME), and adding a solution of RMgBr in DME, wherein R is a methyl group or a benzyl group, and wherein the RMgBr is greater than about 2.3 equivalents relative to the organometallic compound. After the addition of the RMgBr, the slurry is mixed for at least about four hours. An alkylated organometallic is isolated, wherein the methylated species has a meso/rac ratio that is between about 0.9 and about 1.2.
• SILICON-BASED ENERGY STORAGE DEVICES WITH SILICON CONTAINING ELECTROLYTE ADDITIVES
  申请人：Enevate Corporation

  公开号：US20200388876A1

  公开（公告）日：2020-12-10

  Electrolytes and electrolyte additives for energy storage devices comprising a silicon compound are disclosed. The energy storage device comprises a first electrode and a second electrode, wherein at least one of the first electrode and the second electrode is a Si-based electrode, a separator between the first electrode and the second electrode, an electrolyte, and at least one electrolyte additive selected from a silicon compound.
• METHOD TO PREPARE ETHYLENE COPOLYMERS
  申请人：Univation Technologies, LLC

  公开号：US20210024670A1

  公开（公告）日：2021-01-28

  Catalyst systems and methods for making and using the same. A method of polymerizing olefins to produce a polyolefin polymer with a multimodal composition distribution, includes contacting ethylene and a comonomer with a catalyst system. The catalyst system includes a first catalyst compound and a second catalyst compound that are co-supported to form a commonly supported catalyst system. The first catalyst compound includes a compound with the general formula (C 5 H a R 1 b )(C 5 H c R 2 d )HfX 2 . The second catalyst compound includes at least one of the following general formulas: In both catalyst systems, the R groups can be independently selected from any number of substituents, including, for example, H, a hydrocarbyl group, a substituted hydrocarbyl group, or a heteroatom group, among others.
• US9879106B2
  申请人：——

  公开号：US9879106B2

  公开（公告）日：2018-01-30

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