4-(4-hydroxy-2,6-dimethyl-3,5-diphenylphenyl)-3,5-dimethyl-2,6-diphenylphenol | 158145-61-0

• 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: 4-(4-hydroxy-2,6-dimethyl-3,5-diphenylphenyl)-3,5-dimethyl-2,6-diphenylphenol
• CAS: 158145-61-0
• 化学式: C₄₀H₃₄O₂
• 分子量: 546.709
• InChiKey: NLAZJTKNTDBQOC-UHFFFAOYSA-N

物化性质

• 沸点：
  562.9±45.0 °C(predicted)
• 密度：
  1.144±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.67
• 重原子数：
  42.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  mono-benzyl ester of 2,7-di-tert-butyl-9,9-dimethyl-4,5-xanthene dicarboxylic acid chloride 、 4-(4-hydroxy-2,6-dimethyl-3,5-diphenylphenyl)-3,5-dimethyl-2,6-diphenylphenol 在 正丁基锂 、 silver nitrate 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and rotational properties of a series of polyaromatic clefts

  摘要：

  A series of molecular clefts containing convergent functional groups has been developed. The rotational processes occurring within these molecules have been investigated by dynamic NMR experiments and these results are compared with those obtained from molecular modelling.

  DOI：

  10.1016/s0040-4039(00)73499-x
• 作为产物：
  描述：

  2,6-diphenyl-3,5-dimethylcyclohex-2-enone 在 palladium on activated charcoal manganese triacetate 作用下， 以 溶剂黄146 为溶剂， 生成 4-(4-hydroxy-2,6-dimethyl-3,5-diphenylphenyl)-3,5-dimethyl-2,6-diphenylphenol
  参考文献：
  名称：

  Synthesis and rotational properties of a series of polyaromatic clefts

  摘要：

  A series of molecular clefts containing convergent functional groups has been developed. The rotational processes occurring within these molecules have been investigated by dynamic NMR experiments and these results are compared with those obtained from molecular modelling.

  DOI：

  10.1016/s0040-4039(00)73499-x

文献信息

• Galan Amalia, Sutherland Andrew J., Ballester Pablo, Rebek Julius, Jr., Tetrahedron Lett, 35 (1994) N 30, S 5359-5362
  作者：Galan Amalia, Sutherland Andrew J., Ballester Pablo, Rebek Julius, Jr.

  DOI：——

  日期：——