bis(3-pyridyl)dodecylmethylsilane | 1161835-95-5

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: bis(3-pyridyl)dodecylmethylsilane
• 英文别名: m-pddms；Dodecyl-methyl-dipyridin-3-ylsilane；dodecyl-methyl-dipyridin-3-ylsilane
• CAS: 1161835-95-5
• 化学式: C₂₃H₃₆N₂Si
• 分子量: 368.638
• InChiKey: VGENUVVTGDPYOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.59
• 重原子数：
  26
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 bis(3-pyridyl)dodecylmethylsilane 以 乙醇 、 二氯甲烷 为溶剂， 以70%的产率得到[PdCl2(bis(3-pyridyl)dodecylmethylsilane)]3
  参考文献：
  名称：

  Interconversion between cyclodimer and cyclotrimer: Synthesis and characterization of cyclo-[Pd(II)Cl2(N–N)] complexes

  摘要：

  The reaction of (COD)PdCl2 (COD = 1,5-cyclooctadiene) with (3-Py)(2)SiR1R2 (3-Py = 3-pyridyl; R-1 = Ph, R-2 = Ph (m-pdps); R-1 = Ph, R-2 = Me (m-pmps)) in acetone affords single crystals consisting of cyclodimers, [PdCl2((3-Py)(2)SiR1R2)](2), whereas the same reaction in a mixture of dichloromethane and ethanol yields amorphous spheres consisting of cyclotrimers, [PdCl2((3-Py)(2)SiR1R2)](3). In a boiling chloroform solution, the cyclodimers are completely converted to cyclotrimers. These cyclotrimers, in the 10-60 degrees C range, are partly returned to cyclodimers. By contrast, the reaction of (COD) PdCl2 with (3-Py)(2)SiR1R2 (R-1 = Bu, R-2 = Me (m-pbms); R-1 = dodecyl, R-2 = Me (m-pddms)) yields amorphous spheres consisting of cyclotrimers irrespective of solvents. Both [PdCl2(m-pbms)](3) and [PdCl2(m-pddms)](3) are initially cyclotrimers in chloroform, but they exist as a mixture of cyclodimers and cyclotrimers in solution in the 10-60 degrees C range. The metallacycles tend to form cyclodimers in the order m-pdps > m-pmps > m-pbms > m-pddms. The equilibrium between cyclodimers and the cyclotrimers is sensitive to solvent, temperature, and concentration as well as molecular structure. (c) 2008 Published by Elsevier B.V.

  DOI：

  10.1016/j.ica.2008.09.024

文献信息

• Interconversion between cyclodimer and cyclotrimer: Synthesis and characterization of cyclo-[Pd(II)Cl2(N–N)] complexes
  作者：Hyun Ji Kang、Tae Hwan Noh、Young Mee Na、Kyung Ho Yoo、Ok-Sang Jung

  DOI：10.1016/j.ica.2008.09.024

  日期：2009.4

  The reaction of (COD)PdCl2 (COD = 1,5-cyclooctadiene) with (3-Py)(2)SiR1R2 (3-Py = 3-pyridyl; R-1 = Ph, R-2 = Ph (m-pdps); R-1 = Ph, R-2 = Me (m-pmps)) in acetone affords single crystals consisting of cyclodimers, [PdCl2((3-Py)(2)SiR1R2)](2), whereas the same reaction in a mixture of dichloromethane and ethanol yields amorphous spheres consisting of cyclotrimers, [PdCl2((3-Py)(2)SiR1R2)](3). In a boiling chloroform solution, the cyclodimers are completely converted to cyclotrimers. These cyclotrimers, in the 10-60 degrees C range, are partly returned to cyclodimers. By contrast, the reaction of (COD) PdCl2 with (3-Py)(2)SiR1R2 (R-1 = Bu, R-2 = Me (m-pbms); R-1 = dodecyl, R-2 = Me (m-pddms)) yields amorphous spheres consisting of cyclotrimers irrespective of solvents. Both [PdCl2(m-pbms)](3) and [PdCl2(m-pddms)](3) are initially cyclotrimers in chloroform, but they exist as a mixture of cyclodimers and cyclotrimers in solution in the 10-60 degrees C range. The metallacycles tend to form cyclodimers in the order m-pdps > m-pmps > m-pbms > m-pddms. The equilibrium between cyclodimers and the cyclotrimers is sensitive to solvent, temperature, and concentration as well as molecular structure. (c) 2008 Published by Elsevier B.V.