1,3,6,8-tetra(hexadecanoyloxy)pyrene | 1297612-14-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1,3,6,8-tetra(hexadecanoyloxy)pyrene
• 英文别名: [3,6,8-Tri(hexadecanoyloxy)pyren-1-yl] hexadecanoate；[3,6,8-tri(hexadecanoyloxy)pyren-1-yl] hexadecanoate
• CAS: 1297612-14-6
• 化学式: C₈₀H₁₃₀O₈
• 分子量: 1219.91
• InChiKey: UDKAUGMLHNJQEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  33.3
• 重原子数：
  88
• 可旋转键数：
  64
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3,8-dihydroxypyrene-1,6-dione 、 棕榈酰氯 在 4-二甲氨基吡啶 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 以18.5%的产率得到1,3,6,8-tetra(hexadecanoyloxy)pyrene
  参考文献：
  名称：

  Liquid-Crystalline Behavior and Structure of Charge-Transfer Complexes of Pyrene Derivatives with Four Linear Alkanoyloxy Substituents

  摘要：

  Pyrene derivatives (PCns) bearing four linear alkanoyloxy chains (n=7, 9, 11, 15) were synthesized and shown to exhibit mesophases as a result of forming charge-transfer (CT) complexes with strongly electron-accepting 2,4,5,7-tetranitro-9-fluorenone (TeNF). The mesomorphic properties were investigated by polarizing optical microscopy (POM), differential scanning calorimetry (DSC), and variable-temperature X-ray diffraction (XRD) studies. The discotic lamellar phase was confirmed by XRD measurements, but no indication of intercalation of TeNF was observed. The CT complexation was supported by not only spectroscopic studies but the thermal behavior of the co-ground mixture.

  DOI：

  10.1080/15421406.2010.484613

文献信息

• Liquid-Crystalline Behavior and Structure of Charge-Transfer Complexes of Pyrene Derivatives with Four Linear Alkanoyloxy Substituents
  作者：Takuji Hirose、Takuya Yumoto、Kozue Matsumoto、Satomi Mitsushio、Osamu Kawakami、Mikio Yasutake

  DOI：10.1080/15421406.2010.484613

  日期：2010.6.21

  Pyrene derivatives (PCns) bearing four linear alkanoyloxy chains (n=7, 9, 11, 15) were synthesized and shown to exhibit mesophases as a result of forming charge-transfer (CT) complexes with strongly electron-accepting 2,4,5,7-tetranitro-9-fluorenone (TeNF). The mesomorphic properties were investigated by polarizing optical microscopy (POM), differential scanning calorimetry (DSC), and variable-temperature X-ray diffraction (XRD) studies. The discotic lamellar phase was confirmed by XRD measurements, but no indication of intercalation of TeNF was observed. The CT complexation was supported by not only spectroscopic studies but the thermal behavior of the co-ground mixture.