| 1393721-77-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1393721-77-1
• 化学式: C₄₂H₅₆N₂O₄
• 分子量: 652.918
• InChiKey: RNYNIOAYXYAIQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.11
• 重原子数：
  48.0
• 可旋转键数：
  22.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  76.66
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 三氯氧磷 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 12.0h， 以70%的产率得到2,5-bis(6-(decyloxy)naphthalen-2-yl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Symmetrical mesogenic 2,5-bis(6-naphthalen-2-yl)-1,3,4-thiadiazoles

  摘要：

  Two series of new symmetrical 1,3,4-oxadiazoles 1a-n and 1,3,4-thiadiazoles 1b-n were prepared and their mesomorphic properties investigated by optical microscopy, differential scanning calorimetry, and powder X-ray diffractometry. Compounds 1b-n are kinetically more stable than compounds 1a-n. Compounds 1a-n exhibited monotropic nematic or smectic C phases, whereas, compounds 1b-n exhibited enantiotropic nematic or smectic A/smectic C phases. Compounds 1b-n have higher clearing temperatures and the larger temperature ranges of mesophases, which might be attributed to the better linearity and/or larger dipole, resulted from a more polarized sulfur atom than oxygen atom incorporated. The fluorescent properties of these two series of 1,3,4-thiadiazole/oxadiazole-based derivatives were also examined. The lambda(max) peaks of the photoluminescence spectra for compounds 1a-6 and 1b-6 measured in THF occurred at ca. 385 nm and 423 nm, respectively. Both series were blue emitters. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.06.092
• 作为产物：
  描述：

  6-羟基-2-萘甲酯 在 氯化亚砜 、 potassium carbonate 、 一水合肼 、 potassium iodide 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 丙酮 为溶剂， 反应 76.0h， 生成
  参考文献：
  名称：

  Symmetrical mesogenic 2,5-bis(6-naphthalen-2-yl)-1,3,4-thiadiazoles

  摘要：

  Two series of new symmetrical 1,3,4-oxadiazoles 1a-n and 1,3,4-thiadiazoles 1b-n were prepared and their mesomorphic properties investigated by optical microscopy, differential scanning calorimetry, and powder X-ray diffractometry. Compounds 1b-n are kinetically more stable than compounds 1a-n. Compounds 1a-n exhibited monotropic nematic or smectic C phases, whereas, compounds 1b-n exhibited enantiotropic nematic or smectic A/smectic C phases. Compounds 1b-n have higher clearing temperatures and the larger temperature ranges of mesophases, which might be attributed to the better linearity and/or larger dipole, resulted from a more polarized sulfur atom than oxygen atom incorporated. The fluorescent properties of these two series of 1,3,4-thiadiazole/oxadiazole-based derivatives were also examined. The lambda(max) peaks of the photoluminescence spectra for compounds 1a-6 and 1b-6 measured in THF occurred at ca. 385 nm and 423 nm, respectively. Both series were blue emitters. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.06.092