1-benzyl-3-(2-(2,5-dioxo-3,3-diphenylpyrrolidin-1-yl)-3-methylphenyl)urea | 1260228-58-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-benzyl-3-(2-(2,5-dioxo-3,3-diphenylpyrrolidin-1-yl)-3-methylphenyl)urea
• 英文别名: 1-Benzyl-3-[2-(2,5-dioxo-3,3-diphenylpyrrolidin-1-yl)-3-methylphenyl]urea；1-benzyl-3-[2-(2,5-dioxo-3,3-diphenylpyrrolidin-1-yl)-3-methylphenyl]urea
• CAS: 1260228-58-7
• 化学式: C₃₁H₂₇N₃O₃
• 分子量: 489.574
• InChiKey: OSZMPOJZKQGZBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  78.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,5-呋喃二酮,二氢-3,3-二苯基- 在 叠氮磷酸二苯酯 、 氢气 、 钯 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 异丙醇 、 甲苯 为溶剂， 反应 3.17h， 生成 1-benzyl-3-(2-(2,5-dioxo-3,3-diphenylpyrrolidin-1-yl)-3-methylphenyl)urea
  参考文献：
  名称：

  Guest-Accelerated Molecular Rotor

  摘要：

  A molecular rotor was designed in which the rate of rotation is accelerated by guest complexation. The binding of an acetate guest to the urea groups lowers the barrier of the adjacent C-aryl-N-imide bond by 2 to 4 kcal/mol. This behavior is in contrast to most molecular rotors in which guest complexation slows rotation.

  DOI：

  10.1021/ol102659n

文献信息

• Guest-Accelerated Molecular Rotor
  作者：Brent E. Dial、Roger D. Rasberry、Brooke N. Bullock、Mark D. Smith、Perry J. Pellechia、Salvatore Profeta、Ken D. Shimizu

  DOI：10.1021/ol102659n

  日期：2011.1.21

  A molecular rotor was designed in which the rate of rotation is accelerated by guest complexation. The binding of an acetate guest to the urea groups lowers the barrier of the adjacent C-aryl-N-imide bond by 2 to 4 kcal/mol. This behavior is in contrast to most molecular rotors in which guest complexation slows rotation.