2-[5-Tert-butyl-2-[2-[2,4,5-tris[2-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane | 849192-43-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2-[5-Tert-butyl-2-[2-[2,4,5-tris[2-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
• 英文别名: 2-[5-tert-butyl-2-[2-[2,4,5-tris[2-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
• CAS: 849192-43-4
• 化学式: C₉₈H₁₃₄Si₄
• 分子量: 1424.48
• InChiKey: FTXCJLCSTOZLRZ-UHFFFAOYSA-N

物化性质

• 熔点：
  219-221 °C
• 沸点：
  1085.7±65.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  26.75
• 重原子数：
  102
• 可旋转键数：
  32
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 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：

  顺-二氯双(三乙基膦)铂(II) 、 2-[5-Tert-butyl-2-[2-[2,4,5-tris[2-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane 在 copper(l) iodide 、 四丁基氟化铵 、 二乙胺 作用下， 以 四氢呋喃 、 二乙胺 为溶剂， 以21%的产率得到
  参考文献：
  名称：

  Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes

  摘要：

  The synthesis and characterization of seven platina-annulenes and their dehydrobenzo-annulene (DBA) analogues are reported. Assembly of these macrocycles is accomplished via Sri transmetalation or amine-mediated oxidative addition with stoichiometric PtCl2(PR3)(2), containing different phosphine ligands, and CuI. In contrast to previously reported DBA cyclization methodology, incorporation of a doubly sigma-bonded Pt complex into the annulene backbone resulted in selective metallacyclization dependent on competing factors of ligand identity, PtCl2(PR3)(2) isomer, and reaction conditions. Sn transmetalation conditions provided the most selective metallacyclization control and prevented PtCl2(PR3)(2) isomerization during cyclization.

  DOI：

  10.1021/om0490987

文献信息

• Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes
  作者：Charles A. Johnson、Michael M. Haley、Elisabeth Rather、Fusen Han、Timothy J. R. Weakley

  DOI：10.1021/om0490987

  日期：2005.3.1

  The synthesis and characterization of seven platina-annulenes and their dehydrobenzo-annulene (DBA) analogues are reported. Assembly of these macrocycles is accomplished via Sri transmetalation or amine-mediated oxidative addition with stoichiometric PtCl2(PR3)(2), containing different phosphine ligands, and CuI. In contrast to previously reported DBA cyclization methodology, incorporation of a doubly sigma-bonded Pt complex into the annulene backbone resulted in selective metallacyclization dependent on competing factors of ligand identity, PtCl2(PR3)(2) isomer, and reaction conditions. Sn transmetalation conditions provided the most selective metallacyclization control and prevented PtCl2(PR3)(2) isomerization during cyclization.