6,14-bis((triisopropylsilyl)ethynyl)pentacenodifuran | 1566579-07-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 并五苯
• 英文名称: 6,14-bis((triisopropylsilyl)ethynyl)pentacenodifuran
• 英文别名: Tri(propan-2-yl)-[2-[16-[2-tri(propan-2-yl)silylethynyl]-8,22-dioxaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1(17),2,4,6,9,11,13,15,18,20,23,25,27-tridecaen-2-yl]ethynyl]silane；tri(propan-2-yl)-[2-[16-[2-tri(propan-2-yl)silylethynyl]-8,22-dioxaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1(17),2,4,6,9,11,13,15,18,20,23,25,27-tridecaen-2-yl]ethynyl]silane
• CAS: 1566579-07-4
• 化学式: C₄₈H₅₄O₂Si₂
• 分子量: 719.127
• InChiKey: CSMCYHSBIHBXES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.93
• 重原子数：
  52
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  benzofuran-5,6-dicarbaldehyde 、 三异丙基硅基乙炔 、 1,4-环己二酮 在 sodium hydroxide 、 正丁基锂 、 盐酸 、 tin(ll) chloride 作用下， 以 四氢呋喃 、 水 、 正己烷 为溶剂， 反应 74.0h， 生成 6,14-bis((triisopropylsilyl)ethynyl)pentacenodifuran 、 6,14-bis((triisopropylsilyl)ethynyl)pentacenodifuran
  参考文献：
  名称：

  Synthesis, physical properties, and structure of TIPS-difuranoacenes

  摘要：

  The synthesis, physical properties, and structure of triisopropylsilylethynyltetracenodifuran (2) and pentacenodifuran (3) derivatives were reported. There showed high stability in solution in the dark, yet decomposed under light. Single crystal of pentacenodifuran was analyzed by X-ray diffraction analysis, and showed one dimensional packing array along the c-axis. The molecules were stacked with a 3.30 angstrom interlayer distance. The crystals exhibited a high thermal stability under an ambient condition. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.036

文献信息

• Synthesis, physical properties, and structure of TIPS-difuranoacenes
  作者：Motonori Watanabe、Ching-Ting Chien、Yan-Duo Lin、Yuan Jay Chang、Yuh-Sheng Wen、Kenta Goto、Masahiko Shibahara、Teruo Shinmyozu、Tahsin J. Chow

  DOI：10.1016/j.tetlet.2014.01.036

  日期：2014.2

  The synthesis, physical properties, and structure of triisopropylsilylethynyltetracenodifuran (2) and pentacenodifuran (3) derivatives were reported. There showed high stability in solution in the dark, yet decomposed under light. Single crystal of pentacenodifuran was analyzed by X-ray diffraction analysis, and showed one dimensional packing array along the c-axis. The molecules were stacked with a 3.30 angstrom interlayer distance. The crystals exhibited a high thermal stability under an ambient condition. (C) 2014 Elsevier Ltd. All rights reserved.