2,2'-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzenemathanol | 847202-26-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2'-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzenemathanol
• CAS: 847202-26-0
• 化学式: C₂₉H₄₀O₄
• 分子量: 452.634
• InChiKey: YGRNLDHZNHFTME-UHFFFAOYSA-N

物化性质

• 沸点：
  549.3±50.0 °C(Predicted)
• 密度：
  1.042±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.99
• 重原子数：
  33.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  58.92
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,2'-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzenemathanol 在 manganese(IV) oxide 、 palladium 10% on activated carbon 、 对甲苯磺酸 、 三乙胺 作用下， 以 甲醇 、 乙腈 、 苯 为溶剂， 反应 50.5h， 生成
  参考文献：
  名称：

  Iron(III) and manganese(III) complexes of a pseudocalixarene tetraiminotetraphenol macrocyclic ligand: Structure, magnetism and electrochemistry

  摘要：

  The pseudocalixarene tetraiminotetraphenol macrocyclic ligand H4L has been structurally characterized and used to synthesize the complexes [(Fe2L)-L-III(NO3)(2)(H2O)(2)] (1), [(Fe2L)-L-III(Cl)(2)](infinity) (2), [{(Fe2L)-L-III(mu-O)}(2)]center dot 2CH(3)CN center dot H2O (3), [(Mn2L)-L-III(Cl)(2)]center dot 3H(2)O (4) and [(Mn2L)-L-III(OAc)(2)]center dot 5H(2)O (5). The crystal structures of 3 and 4 have been determined. Variable-temperature (2-295 K) magnetic susceptibility measurements have been carried out for 3 and the data have been fitted to the spin Hamiltonian H = -2JS(1).S-2 with J = -45 cm(-1). Cyclic voltammetric measurements carried out for 1 in N,N-dimethylformamide have revealed the presence of two reversible redox couples with E-1/2 = -180 and -280 mV, which coalesced into a single couple with E-1/2 = -220 mV with the addition of excess NaNO3. The two manganese(III) complexes undergo quasi-reversible reduction in methanol at the same potential with E-1/2 = -240 mV. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.03.011
• 作为产物：
  描述：

  bis(5-tert-butyl-2-hydroxy-3-hydroxymethyl-phenyl)methane 、 3-溴丙烯 生成 2,2'-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzenemathanol
  参考文献：
  名称：

  拟杯芳烃大环的双核配合物：分子内氢键的结构后果

  摘要：

  一系列拟杯芳烃的双核配合物 大循环含有两个2,2'-亚甲基二酚基团的H 6 L已被合成并进行了结构表征。使用二价金属离子，形成含有常见双曲线抛物面（鞍形）M 2（H 4 L）2+核的配合物。该结构由亚甲基二酚单元的金属离子促进的单去质子化作用产生的两个强烈的O–H–O相互作用控制。金属离子位于裂缝中，中性或阴离子客体可与之结合。使用三价金属离子会导致苯酚基团完全去质子化并失去鞍形构象。

  DOI：

  10.1039/b413639j

文献信息

• 5,5′-Di-<i>tert</i>-butyl-2,2′-dihydroxy-3,3′-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors
  作者：Sandrine Goetz、Julia Barreira Fontecha、Vickie McKee

  DOI：10.1107/s010827010402089x

  日期：2004.11.15

  5,5'-Di-tert-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzalde-hyde, C23H28O4, (IV), has been structurally characterized in two polymorphic forms. The tetragonal form, (in I4(1)/a) has been reported previously but is redetermined and reinterpreted here, while the monoclinic form, (in C2/c) is reported for the first time. In both polymorphs, the molecule lies on a crystallographic twofold axis. Two precursors in the synthesis of (IV), namely 2,2-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzenemethanoI (C29H40O4) and 2,2-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzaldehyde (C29H36O4) have also been characterized.
• Di-, Tri-, and Tetracopper(II) Complexes of a Pseudocalixarene Macrocycle
  作者：Julia Barreira Fontecha、Sandrine Goetz、Vickie McKee

  DOI：10.1002/1521-3773(20021202)41:23<4553::aid-anie4553>3.0.co;2-w

  日期：2002.12.2