phenylene(t-butylcarboxamido)(2,3,5-trimethylcyclopentadienyl)titanium bis(dimethylamide) | 918875-87-3

• 英文名称: phenylene(t-butylcarboxamido)(2,3,5-trimethylcyclopentadienyl)titanium bis(dimethylamide)
• 英文别名: phenylene(t-butylcarboxamido)(2,3,5-trimethylcyclopentadienyl)titanium bis(dimethylamine)
• CAS: 918875-87-3
• 化学式: C₂₃H₃₅N₃OTi
• 分子量: 417.43
• InChiKey: BXMXFONQTZZDJA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  四氯化硅 、 phenylene(t-butylcarboxamido)(2,3,5-trimethylcyclopentadienyl)titanium bis(dimethylamide) 以 甲苯 为溶剂， 生成 2-[(η5-Me3C5H)TiCl3]-C6H4N=C(Cl)-t-Bu
  参考文献：
  名称：

  Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization

  摘要：

  o-Phenylene-bridged or substituted o-phenylene-bridged di- or trimethylcyclopentadienyl/carboxamide ligands 2-(RMe2C5H2)-4,6-R ' 2C6H2NHC(O)Bu-t (R = Me or H; R ') Me, H, or F) are prepared. When R ' is methyl or H, unbridged trichlorotitanium complexes containing a chloroimine unit as a pendant group, 2-[(eta(5)-RMe2C5H)TiCl3]-4,6-R ' 2C6H2N=C(Cl)Bu-t (7, R = H, R ' = H; 8, R = Me, R ' = H; 9, R = H, R ') Me; 10, R) Me, R ') Me), are unexpectedly afforded through the successive addition of Ti(NMe2)(4) and SiCl4 to the ligands. The same treatment to the ligands where R ' = F affords oxygen-coordinated bridged complexes [2-(eta(5)-RMe2C5H)-4,6-F2C6H2N=C(O)Bu-t-kappa O]TiCl2 (11, R = H; 12, R = Me). The desired nitrogen-coordinated bridged complexes [2-(eta(5)-RMe2C5H)C6H4NC(O)Bu-t-kappa N-2,O]TiMe2 (13, R) H; 14, R = Me) are obtained by reacting the corresponding dilithium compound with Me2TiCl2. The binding modes of 7, 8, 9, 11, and 14 are confirmed by X-ray crystallography. Trichlorotitanium complex 8 shows high activity in ethylene/1-octene copolymerization (activity, 100 x 10(6) g/molTi center dot h at 13 bar ethylene). Trimethylcyclopentadienyl complexes show higher activity than the dimethylcyclopentadienyl analogues, and the activities of 12 and 14 reach similar to 65 x 10(6)g/molTi(.)h. Complex 12 is excellent in incorporating 1-octene.

  DOI：

  10.1021/om060604x
• 作为产物：
  描述：

  tetrakis(dimethylamido)titanium(IV) 、 2,2-dimethyl-N-[2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)phenyl]propanamide 以 甲苯 为溶剂， 生成 phenylene(t-butylcarboxamido)(2,3,5-trimethylcyclopentadienyl)titanium bis(dimethylamide)
  参考文献：
  名称：

  Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization

  摘要：

  o-Phenylene-bridged or substituted o-phenylene-bridged di- or trimethylcyclopentadienyl/carboxamide ligands 2-(RMe2C5H2)-4,6-R ' 2C6H2NHC(O)Bu-t (R = Me or H; R ') Me, H, or F) are prepared. When R ' is methyl or H, unbridged trichlorotitanium complexes containing a chloroimine unit as a pendant group, 2-[(eta(5)-RMe2C5H)TiCl3]-4,6-R ' 2C6H2N=C(Cl)Bu-t (7, R = H, R ' = H; 8, R = Me, R ' = H; 9, R = H, R ') Me; 10, R) Me, R ') Me), are unexpectedly afforded through the successive addition of Ti(NMe2)(4) and SiCl4 to the ligands. The same treatment to the ligands where R ' = F affords oxygen-coordinated bridged complexes [2-(eta(5)-RMe2C5H)-4,6-F2C6H2N=C(O)Bu-t-kappa O]TiCl2 (11, R = H; 12, R = Me). The desired nitrogen-coordinated bridged complexes [2-(eta(5)-RMe2C5H)C6H4NC(O)Bu-t-kappa N-2,O]TiMe2 (13, R) H; 14, R = Me) are obtained by reacting the corresponding dilithium compound with Me2TiCl2. The binding modes of 7, 8, 9, 11, and 14 are confirmed by X-ray crystallography. Trichlorotitanium complex 8 shows high activity in ethylene/1-octene copolymerization (activity, 100 x 10(6) g/molTi center dot h at 13 bar ethylene). Trimethylcyclopentadienyl complexes show higher activity than the dimethylcyclopentadienyl analogues, and the activities of 12 and 14 reach similar to 65 x 10(6)g/molTi(.)h. Complex 12 is excellent in incorporating 1-octene.

  DOI：

  10.1021/om060604x

文献信息

• Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions
  申请人：LG Chem, Ltd.

  公开号：US07538239B2

  公开（公告）日：2009-05-26

  Provided are a novel transition metal complex where a monocyclopentadienyl ligand to which an amido or alcoxy group is introduced is coordinated, a method of synthesizing the same, and olefin polymerization using the transition metal complex. Compared to a conventional transition metal complex having a silicon bridge and an oxido ligand, the transition metal complex has a phenylene bridge, so that a monomer easily approaches the transition metal complex in terms of structure and a pentagon ring structure of the transition metal complex is stably maintained. The catalyst composition including the transition metal complex is used to synthesize a polyolefin copolymer having a very low density less than 0.910 g/cc.

  提供了一种新型过渡金属配合物，其中配位了一个含有氨基或烷氧基团的单环戊二烯基配体，还提供了一种合成该配合物的方法，以及使用该过渡金属配合物进行烯烃聚合的方法。与具有硅桥和氧化物配体的传统过渡金属配合物相比，该过渡金属配合物具有苯桥，使得单体在结构上更容易接近该过渡金属配合物，并且过渡金属配合物的五边形环结构得到稳定维持。包括该过渡金属配合物的催化剂组合物用于合成具有非常低密度小于0.910克/立方厘米的聚烯烃共聚物。