双酚A-(环-d₈) | 92739-58-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 双酚A-(环-d₈)
• 英文名称: Bisphenol A-d8
• 英文别名: 2,3,5,6-tetradeuterio-4-[2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)propan-2-yl]phenol
• CAS: 92739-58-7
• 化学式: C₁₅H₁₆O₂
• 分子量: 236.227
• InChiKey: IISBACLAFKSPIT-UWAUJQNOSA-N

物化性质

• 熔点：
  157-159 °C(lit.)
• 沸点：
  220 °C4 mm Hg(lit.)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  双酚A-(环-d₈) 、 环氧氯丙烷 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 4.0h， 以90%的产率得到
  参考文献：
  名称：

  Phenylene Ring Motions in Isomeric Glassy Epoxy Networks and Their Contributions to Thermal and Mechanical Properties

  摘要：

  Cross-linked epoxies prepared from diglycidyl ether of bisphenol A (DGEBA) exhibit substantial property differences due to isomeric structures of the diamine curatives, 3,3'- and 4,4'-diaminodiphenyl sulfone (DDS). Here, the motions of phenylene rings on both the bisphenol A (BPA) and DDS structures of the networks were investigated through solid-state NMR H-2 line shape analysis to trace the molecular origins. Ring deuterated monomers, namely, DGEBA-d(8), 33DDS-d(8), and 44DDS-d(8), were synthesized, and four deuterated networks were prepared. The line shapes of the ring motions were interpreted using a motional model that described both ring p-flips and main-chain fluctuations. The contributions of different ring motions to mechanical relaxations are elucidated, and the molecular origins of property differences are identified.

  DOI：

  10.1021/ma5022506