(Z)-1-benzyl-3-[4'-(2-biphenyl-4-yl-vinyl)-biphenyl-4-ylmethyl] urea | 427879-64-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (Z)-1-benzyl-3-[4'-(2-biphenyl-4-yl-vinyl)-biphenyl-4-ylmethyl] urea
• CAS: 427879-64-9
• 化学式: C₃₅H₃₀N₂O
• 分子量: 494.636
• InChiKey: LFKZQXLIMYMDSJ-QXMHVHEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.19
• 重原子数：
  38.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  41.13
• 氢给体数：
  2.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (Z)-1-benzyl-3-[4'-(2-biphenyl-4-yl-vinyl)-biphenyl-4-ylmethyl] urea 以 氘代四氢呋喃 为溶剂， 反应 0.25h， 以98%的产率得到(E)-1-benzyl-3-[4'-(2-biphenyl-4-yl-vinyl)-biphenyl-4-ylmethyl] urea
  参考文献：
  名称：

  A Photoactivated Precipiton for Reagent Sequestration in Solution-Phase Synthesis

  摘要：

  Precipitons are molecular phase tags for chemical separations. They can be switched from a high-solubility to a low-solubility state to facilitate product, reagent, or catalyst isolation. This paper presents the first photoactivated precipiton and demonstrates that this precipiton is an efficient amine scavenging agent in solution-phase syntheses of amides, ureas, and imines. This approach to amine scavenging offers advantages over solid-phase scavenging methods. The amine is captured in a homogeneous medium, so the capture is much faster than seen with isocyanate resins, and only a small excess of the scavenger is required.

  DOI：

  10.1021/ja017577g
• 作为产物：
  描述：

  1-溴-4-叔丁基二甲基硅烷氧甲基苯 在 四丁基氟化铵 、 叔丁基锂 、 碳酸氢钠 、 一水合肼 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 甲苯 、 正戊烷 为溶剂， 反应 23.41h， 生成 (Z)-1-benzyl-3-[4'-(2-biphenyl-4-yl-vinyl)-biphenyl-4-ylmethyl] urea
  参考文献：
  名称：

  A Photoactivated Precipiton for Reagent Sequestration in Solution-Phase Synthesis

  摘要：

  Precipitons are molecular phase tags for chemical separations. They can be switched from a high-solubility to a low-solubility state to facilitate product, reagent, or catalyst isolation. This paper presents the first photoactivated precipiton and demonstrates that this precipiton is an efficient amine scavenging agent in solution-phase syntheses of amides, ureas, and imines. This approach to amine scavenging offers advantages over solid-phase scavenging methods. The amine is captured in a homogeneous medium, so the capture is much faster than seen with isocyanate resins, and only a small excess of the scavenger is required.

  DOI：

  10.1021/ja017577g