Mellithsaeurehexaisopropylester | 91621-00-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Mellithsaeurehexaisopropylester
• 英文别名: hexaisopropyl benzenehexacarboxylate；hexapropan-2-yl benzene-1,2,3,4,5,6-hexacarboxylate
• CAS: 91621-00-0
• 化学式: C₃₀H₄₂O₁₂
• 分子量: 594.656
• InChiKey: CZGSINNJFFTASU-UHFFFAOYSA-N

物化性质

• 沸点：
  542.8±45.0 °C(Predicted)
• 密度：
  1.149±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.08
• 重原子数：
  42.0
• 可旋转键数：
  12.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  157.8
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  Diisopropyl acetylenedicarboxylate 在 (dad)Ni(cod) 作用下， 以 环己烷 为溶剂， 反应 20.0h， 生成 Mellithsaeurehexaisopropylester
  参考文献：
  名称：

  Diercks, Rainer; Dieck, Heindirk tom, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1984, vol. 39, # 2, p. 180 - 184

  摘要：

  DOI：

文献信息

• Steric hindrance-induced dual fluorescence of congested benzenehexacarboxylates
  作者：Noritsugu Yamasaki、Yoshihisa Inoue、Taizo Yokoyama、Akira Tai、Akito Ishida、Setsuo Takamuku

  DOI：10.1021/ja00006a011

  日期：1991.3

  Alkyl benzenetetra- and benzenehexacarboxylates were shown to fluoresce weakly in fluid solutions, in sharp contrast to entirely nonfluorescent mono-, di-, or tricarboxylates. Interestingly, benzenehexacarboxylates with bulky alkyl groups provide a novel dual-fluorescing molecular system involving a mechanism differing from the well-documented excimer formation, protonation/deprotonation, or twisted intramolecular charge transfer. Thus hexacarboxylates of isopropyl, tert-butyl, (-)-bornyl, (-)-menthyl, and 1-adamantyl alcohols show unambiguous, bulkiness-dependent dual fluorescence peaks with both small and substantially large Stokes shifts at room and/or low temperatures, whereas the hexamethyl ester and the corresponding tetracarboxylates with bulky alkyl groups never show such unusual fluorescence behavior. This dual fluorescence phenomenon is attributed to the decelerated conformational relaxation in the excited state owing to steric hindrance between adjacent bulky alkyl groups.
• Diercks, Rainer; Dieck, Heindirk tom, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1984, vol. 39, # 2, p. 180 - 184
  作者：Diercks, Rainer、Dieck, Heindirk tom

  DOI：——

  日期：——