6-[Bis-(3,4-bis-dodecyloxy-phenyl)-methylene]-6,13-dihydro-pentacene | 910316-74-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-[Bis-(3,4-bis-dodecyloxy-phenyl)-methylene]-6,13-dihydro-pentacene
• CAS: 910316-74-4
• 化学式: C₈₃H₁₂₀O₄
• 分子量: 1181.86
• InChiKey: DITWSRYTPRUWOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.1
• 重原子数：
  87.0
• 可旋转键数：
  50.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6-[Bis-(3,4-bis-dodecyloxy-phenyl)-methylene]-6,13-dihydro-pentacene 在 potassium permanganate 作用下， 以 丙酮 为溶剂， 反应 2.0h， 以80%的产率得到13-[Bis-(3,4-bis-dodecyloxy-phenyl)-methylene]-13H-pentacen-6-one
  参考文献：
  名称：

  Transferring Self-Assembled, Nanoscale Cables into Electrical Devices

  摘要：

  This study details a new derivative of the contorted HBCs that self-organizes into one-dimensional, single-crystalline fibers. X-ray diffraction, transmission electron microscopy, and electron diffraction studies show that they have an orthorhombic unit cell with dimensions of 5.8 nm x 4.5 nm x 0.45 nm. Each fiber is composed of a few thousands columns. A method is put forth that utilizes elastomer stamps to manipulate and position isolated fibers in organic field effect transistors.

  DOI：

  10.1021/ja0642360
• 作为产物：
  描述：

  1,2-(二十二烷氧荃)苯 在 nickel(IV) oxide 、 sodium hydroxide 、 氯化亚砜 、 magnesium sulfate 、 一水合肼 、 三苯基膦 作用下， 以 乙醇 、 二氯甲烷 、 戊醇 、 对二甲苯 为溶剂， 反应 39.5h， 生成 6-[Bis-(3,4-bis-dodecyloxy-phenyl)-methylene]-6,13-dihydro-pentacene
  参考文献：
  名称：

  Transferring Self-Assembled, Nanoscale Cables into Electrical Devices

  摘要：

  This study details a new derivative of the contorted HBCs that self-organizes into one-dimensional, single-crystalline fibers. X-ray diffraction, transmission electron microscopy, and electron diffraction studies show that they have an orthorhombic unit cell with dimensions of 5.8 nm x 4.5 nm x 0.45 nm. Each fiber is composed of a few thousands columns. A method is put forth that utilizes elastomer stamps to manipulate and position isolated fibers in organic field effect transistors.

  DOI：

  10.1021/ja0642360