S-[4-[4,4-bis(4-phenylmethoxyphenyl)pentyl-methylcarbamoyl]phenyl] N,N-dimethylcarbamothioate | 184866-22-6

• 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: S-[4-[4,4-bis(4-phenylmethoxyphenyl)pentyl-methylcarbamoyl]phenyl] N,N-dimethylcarbamothioate
• CAS: 184866-22-6
• 化学式: C₄₂H₄₄N₂O₄S
• 分子量: 672.888
• InChiKey: MAUMKKUWVVMWLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  49
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  84.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  S-[4-[4,4-bis(4-phenylmethoxyphenyl)pentyl-methylcarbamoyl]phenyl] N,N-dimethylcarbamothioate 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以78%的产率得到N-[4,4-bis(4-phenylmethoxyphenyl)pentyl]-N-methyl-4-sulfanylbenzamide
  参考文献：
  名称：

  Synthesis of a Series of Focally-Substituted Organothiol Dendrons

  摘要：

  The synthesis of new organothiol-functionalized dendrons of generation 1-4 is described. Several modifications to the original method for preparation of dendrons are detailed that were found to improve the yield and aid in scale-up. A particularly advantageous method for preparation of an aromatic thiol is reported and is employed in this reaction sequence. Several uses of these dendrons are anticipated and briefly described.

  DOI：

  10.1021/jo961527q
• 作为产物：
  描述：

  -OH 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 15.0h， 生成 S-[4-[4,4-bis(4-phenylmethoxyphenyl)pentyl-methylcarbamoyl]phenyl] N,N-dimethylcarbamothioate
  参考文献：
  名称：

  Synthesis of a Series of Focally-Substituted Organothiol Dendrons

  摘要：

  The synthesis of new organothiol-functionalized dendrons of generation 1-4 is described. Several modifications to the original method for preparation of dendrons are detailed that were found to improve the yield and aid in scale-up. A particularly advantageous method for preparation of an aromatic thiol is reported and is employed in this reaction sequence. Several uses of these dendrons are anticipated and briefly described.

  DOI：

  10.1021/jo961527q