4,5,4',5'-Tetrakis-trimethylsilanylethynyl-[2,2']bi[[1,3]dithiolylidene] | 204379-21-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫醇
• 英文名称: 4,5,4',5'-Tetrakis-trimethylsilanylethynyl-[2,2']bi[[1,3]dithiolylidene]
• 英文别名: 2-[2-[4,5-Bis(2-trimethylsilylethynyl)-1,3-dithiol-2-ylidene]-5-(2-trimethylsilylethynyl)-1,3-dithiol-4-yl]ethynyl-trimethylsilane
• CAS: 204379-21-5
• 化学式: C₂₆H₃₆S₄Si₄
• 分子量: 589.178
• InChiKey: WRSRNEHCQPBKGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.02
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5,4',5'-Tetrakis-trimethylsilanylethynyl-[2,2']bi[[1,3]dithiolylidene] 在 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 4,5,4',5'-Tetraethynyl-[2,2']bi[[1,3]dithiolylidene]
  参考文献：
  名称：

  Synthesis and redox properties of tetraethynyl tetrathiafulvalenes

  摘要：

  The synthesis and characterization of protected tetraethynyltetrathiafulvalenes (1a and 1b) is reported. The cation radical of 1a has a slightly more positive oxidation potential (E-ox0/1 = 0.63 V vs Ag/AgCl) than TTF. Stable CT solids can be prepared with iodine and TCNQF(4). These compounds are the first members of a series of highly unsaturated ?TF derivatives having in-plane pi-orbitals. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00004-5
• 作为产物：
  描述：

  4,5-Bis-trimethylsilanylethynyl-[1,3]dithiole-2-thione 在 三甲氧基磷 作用下， 以45%的产率得到4,5,4',5'-Tetrakis-trimethylsilanylethynyl-[2,2']bi[[1,3]dithiolylidene]
  参考文献：
  名称：

  Synthesis and redox properties of tetraethynyl tetrathiafulvalenes

  摘要：

  The synthesis and characterization of protected tetraethynyltetrathiafulvalenes (1a and 1b) is reported. The cation radical of 1a has a slightly more positive oxidation potential (E-ox0/1 = 0.63 V vs Ag/AgCl) than TTF. Stable CT solids can be prepared with iodine and TCNQF(4). These compounds are the first members of a series of highly unsaturated ?TF derivatives having in-plane pi-orbitals. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00004-5