4,11-bis(triisopropylsilylethynyl)anthra[2,3-c]-[1,2,5]thiadiazole | 1194654-39-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 4,11-bis(triisopropylsilylethynyl)anthra[2,3-c]-[1,2,5]thiadiazole
• 英文别名: Tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]naphtho[2,3-f][2,1,3]benzothiadiazol-11-yl]ethynyl]silane；tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]naphtho[2,3-f][2,1,3]benzothiadiazol-11-yl]ethynyl]silane
• CAS: 1194654-39-1
• 化学式: C₃₆H₄₈N₂SSi₂
• 分子量: 597.028
• InChiKey: MVWNJHYINHNURM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.14
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,11-bis(triisopropylsilylethynyl)anthra[2,3-c]-[1,2,5]thiadiazole 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.58h， 生成 1,4-bis((triisopropylsilyl)ethynyl)anthracene-2,3-diamine
  参考文献：
  名称：

  From Thia- to Selenadiazoles: Changing Interaction Priority

  摘要：

  The synthesis, optical, and electrochemical properties as well as solid-state structures of a series of alkynylated, benzannulated selenadiazoles are reported. This set of compounds Is compared to the lighter homologue series, the thiadiazoles. The selenadiazoles show head-to-head dimerization in the solid state, while packing of the thiadiazoles was dominated by the steric bulk of the side groups. The Se-N interaction is a supramolecular motif that should drive the effective self-assembly and modulate charge transport when these compounds are used as thin films in devices.

  DOI：

  10.1021/ol303490b
• 作为产物：
  描述：

  在 sodium hypophosphite 、 potassium iodide 作用下， 以 溶剂黄146 为溶剂， 反应 0.5h， 以0.867 g的产率得到4,11-bis(triisopropylsilylethynyl)anthra[2,3-c]-[1,2,5]thiadiazole
  参考文献：
  名称：

  Alkynylated Aceno[2,1,3]thiadiazoles

  摘要：

  Enlarged acenothiadiazoles, which are easily prepared, display attractive optical and electrochemical properties. The annulation of thiadiazole to anthracene gives a stable material with optical properties similar to those of substituted pentacenes.

  DOI：

  10.1021/ol902156x