| 1401508-51-7

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• CAS: 1401508-51-7
• 化学式: C₇₂H₁₅₆Si₁₃
• 分子量: 1387.14
• InChiKey: PFXLUSGFRJRRHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.9
• 重原子数：
  85.0
• 可旋转键数：
  56.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  3-(dimethylsilyl)propyltitanocene dichloride 、 在 铂(0)-1,3-二乙烯-1,1,3,3-四甲基二硅氧烷 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 甲苯 为溶剂， 反应 20.0h， 以56%的产率得到
  参考文献：
  名称：

  Carbosilane Metallodendrimers with Titanocene Dichloride End Groups

  摘要：

  Carbosilane metallodendrimers containing substituted titanocene dichloride end groups were prepared using hydrosilylation as the capping reaction. Two complementary pathways were followed: hydrosilylation of omega-alkenyl-substituted titanocene dichloride complexes with Si H bond terminated dendrimers and hydrosilylation of vinyl terminated dendritic materials with 3-(dimethylsilyl)propyl-substituted titanocene dichloride. The former procedure provided dendrimers of the first generation with four end units and of the second generation with eight end units. The latter method gave dendrititic wedges and dendrimers up to the second generation with 16 peripheral titanocene dichloride units and molecular weight 7070 Da. Dendritic materials were purified by GPC and characterized by MALDI-TOF mass spectrometry and ESI-TOF mass spectrometry (metallodendrimers) and also by multinuclear NMR.

  DOI：

  10.1021/om300559y
• 作为产物：
  描述：

  氯丙烯镁 、 Si((CH₂)3SiMe(CH₂CH₂CH₂SiMe₂Cl)2)4 以 四氢呋喃 、 正己烷 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Carbosilane Metallodendrimers with Titanocene Dichloride End Groups

  摘要：

  Carbosilane metallodendrimers containing substituted titanocene dichloride end groups were prepared using hydrosilylation as the capping reaction. Two complementary pathways were followed: hydrosilylation of omega-alkenyl-substituted titanocene dichloride complexes with Si H bond terminated dendrimers and hydrosilylation of vinyl terminated dendritic materials with 3-(dimethylsilyl)propyl-substituted titanocene dichloride. The former procedure provided dendrimers of the first generation with four end units and of the second generation with eight end units. The latter method gave dendrititic wedges and dendrimers up to the second generation with 16 peripheral titanocene dichloride units and molecular weight 7070 Da. Dendritic materials were purified by GPC and characterized by MALDI-TOF mass spectrometry and ESI-TOF mass spectrometry (metallodendrimers) and also by multinuclear NMR.

  DOI：

  10.1021/om300559y

文献信息

• Titanocene dichloride complexes bonded to carbosilane dendrimers via a spacer of variable length – Molecular dynamics calculations and catalysis of allylic coupling reactions
  作者：Tomáš Strašák、Florian Jaroschik、Marek Malý、Jan Čermák、Jan Sýkora、Radek Fajgar、Jindřich Karban、Dominique Harakat

  DOI：10.1016/j.ica.2013.07.020

  日期：2014.1

  SiCH 2 CH 2 CH 2 SiMe 2 CH 2 CH 2 SiMe 2 (CH 2 ) n C 5 H 4 TiCl 2 C 5 H 5 } 4 and SiCH 2 CH 2 CH 2 SiMe[CH 2 CH 2 SiMe 2 (CH 2 ) n C 5 H 4 TiCl 2 C 5 H 5 ] 2 } 4 ( n = 1, 5) and of the second generation SiCH 2 CH 2 CH 2 SiMe[CH 2 CH 2 CH 2 SiMe 2 CH 2 CH 2 SiMe 2 (CH 2 ) n C 5 H 4 TiCl 2 C 5 H 5 ] 2 } 4 ( n = 1, 5) and SiCH 2 CH 2 CH 2 SiMe[CH 2 CH 2 CH 2 SiMe(CH 2 CH 2 SiMe 2 (CH 2 ) n C 5 H 4

  摘要第一代Si CH 2 CH 2 CH 2 SiMe 2 CH 2 CH 2 SiMe 2（CH 2）n C 5 H 4 TiCl 2 C 5 H 5} 4和Si CH 2 CH 2 CH 2 SiMe [CH 2 CH 2 SiMe 2（CH 2）n C 5 H 4 TiCl 2 C 5 H 5] 2} 4（n = 1，5）和第二代Si CH 2 CH 2 CH 2 SiMe [CH 2 CH 2 CH 2 SiMe 2 CH 2 CH 2 SiMe 2（CH 2）n C 5 H 4 TiCl 2 C 5 H 5] 2} 4（n = 1，5）和Si CH 2 CH 2 CH 2 SiMe [CH制备2 CH 2 CH 2 SiMe（CH 2 CH 2 SiMe 2（CH 2）n C 5 H 4 TiCl 2 C 5 H 5）2] 2} 4（n = 5），使用GPC-NMR和GP