trimethyl-[3,4,5-tris[bis(4-chlorophenyl)methylidene]-7-trimethylsilylhepta-1,6-diynyl]silane | 820221-68-9

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: trimethyl-[3,4,5-tris[bis(4-chlorophenyl)methylidene]-7-trimethylsilylhepta-1,6-diynyl]silane
• CAS: 820221-68-9
• 化学式: C₅₂H₄₂Cl₆Si₂
• 分子量: 935.794
• InChiKey: QELFBOSGXRSWBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.17
• 重原子数：
  60.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  trimethyl-[3,4,5-tris[bis(4-chlorophenyl)methylidene]-7-trimethylsilylhepta-1,6-diynyl]silane 在 甲醇 、 氢氧化钾 作用下， 以 四氢呋喃 为溶剂， 以77%的产率得到1-[3,4-Bis[bis(4-chlorophenyl)methylidene]-1-(4-chlorophenyl)-2-ethynylhex-1-en-5-ynyl]-4-chlorobenzene
  参考文献：
  名称：

  Novel π-Expanded Radialene Macrocycles with Inner Cavity

  摘要：

  Polyenyne macrocycles with pi-extended [9]- and [12]radialene frameworks have been synthesized. These radialenes exhibit restricted rotation of the aromatic rings, and the D-3- and D-4-symmetric structures in solutions have been determined by dynamic NMR. The macrocyclic radialenes bear small to medium inner cavities, and the small cavity of the :c-extended [9]radialene can incorporate a silver cation.

  DOI：

  10.1021/ol048146g
• 作为产物：
  描述：

  1-[3-[Bis(4-chlorophenyl)methylidene]-2,4-dibromo-1,5,5-tris(4-chlorophenyl)penta-1,4-dienyl]-4-chlorobenzene 、 三甲基乙炔基硅 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以55%的产率得到trimethyl-[3,4,5-tris[bis(4-chlorophenyl)methylidene]-7-trimethylsilylhepta-1,6-diynyl]silane
  参考文献：
  名称：

  Novel π-Expanded Radialene Macrocycles with Inner Cavity

  摘要：

  Polyenyne macrocycles with pi-extended [9]- and [12]radialene frameworks have been synthesized. These radialenes exhibit restricted rotation of the aromatic rings, and the D-3- and D-4-symmetric structures in solutions have been determined by dynamic NMR. The macrocyclic radialenes bear small to medium inner cavities, and the small cavity of the :c-extended [9]radialene can incorporate a silver cation.

  DOI：

  10.1021/ol048146g

文献信息

• Novel π-Expanded Radialene Macrocycles with Inner Cavity
  作者：Masahiko Iyoda、Yoshiyuki Kuwatani、Sachiko Yamagata、Nobuko Nakamura、Mie Todaka、Gaku Yamamoto

  DOI：10.1021/ol048146g

  日期：2004.12.1

  Polyenyne macrocycles with pi-extended [9]- and [12]radialene frameworks have been synthesized. These radialenes exhibit restricted rotation of the aromatic rings, and the D-3- and D-4-symmetric structures in solutions have been determined by dynamic NMR. The macrocyclic radialenes bear small to medium inner cavities, and the small cavity of the :c-extended [9]radialene can incorporate a silver cation.