| 1041859-49-7

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• CAS: 1041859-49-7
• 化学式: C₅₃H₈₈O₆
• 分子量: 821.278
• InChiKey: YMLAKSMNZPNSIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.39
• 重原子数：
  59.0
• 可旋转键数：
  41.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 对甲苯磺酰肼 以 甲醇 为溶剂， 以529 mg的产率得到
  参考文献：
  名称：

  Amphiphilic Molecular Design as a Rational Strategy for Tailoring Bicontinuous Electron Donor and Acceptor Arrays: Photoconductive Liquid Crystalline Oligothiophene−C₆₀ Dyads

  摘要：

  Temperature range a photoconducting smectic. A liquid crystal having bicontinuous arrays of densely packed donor and acceptors units. In contrast, when modified with only paraffinic wedges(1(Lipo)), the dyad forms a smectic A liquid crystalline mesophase, which however is poorly conductive. As indicated by an absorption spectral feature along with a synchron radiation small-angle X-ray scattering profile. 1(Lipo) in the lamellar structure does not adopt a uniform head/tail orientation. Such defective donor and acceptor arrays likely contain a large number of trapping sites, leading to short-lived charge carriers, as observed by a flash photolysis time-resolved microwave conductivity study.

  DOI：

  10.1021/ja802757w
• 作为产物：
  描述：

  methyl 4-oxo-4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]butyrate 、 5-溴-1,2,3-三(十二烷氧基)苯 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 以55%的产率得到
  参考文献：
  名称：

  Amphiphilic Molecular Design as a Rational Strategy for Tailoring Bicontinuous Electron Donor and Acceptor Arrays: Photoconductive Liquid Crystalline Oligothiophene−C₆₀ Dyads

  摘要：

  Temperature range a photoconducting smectic. A liquid crystal having bicontinuous arrays of densely packed donor and acceptors units. In contrast, when modified with only paraffinic wedges(1(Lipo)), the dyad forms a smectic A liquid crystalline mesophase, which however is poorly conductive. As indicated by an absorption spectral feature along with a synchron radiation small-angle X-ray scattering profile. 1(Lipo) in the lamellar structure does not adopt a uniform head/tail orientation. Such defective donor and acceptor arrays likely contain a large number of trapping sites, leading to short-lived charge carriers, as observed by a flash photolysis time-resolved microwave conductivity study.

  DOI：

  10.1021/ja802757w