(S)-1-(4-methoxybenzyl)-4-benzyl-3,4-dihydro-3-methylthieno[3,2-e][1,4]diazepine-2,5-dione | 1161932-60-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烯杂卓类
• 英文名称: (S)-1-(4-methoxybenzyl)-4-benzyl-3,4-dihydro-3-methylthieno[3,2-e][1,4]diazepine-2,5-dione
• 英文别名: (3S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-3H-thieno[3,2-e][1,4]diazepine-2,5-dione
• CAS: 1161932-60-0
• 化学式: C₂₃H₂₂N₂O₃S
• 分子量: 406.505
• InChiKey: PBMUGYKVMKGVJM-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  78.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (S)-1-(4-methoxybenzyl)-3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione 、 溴甲苯 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 18.08h， 以60%的产率得到(S)-1-(4-methoxybenzyl)-4-benzyl-3,4-dihydro-3-methylthieno[3,2-e][1,4]diazepine-2,5-dione
  参考文献：
  名称：

  From Thienodiazepinediones to Thienopyridinones: Flexible Synthesis of Substituted Thieno[3,2-e][1,4]diazepinones and 6-Aminothieno[3,2-b]pyridinones

  摘要：

  N-Substituted thienodiazepinedione opening with a series of organomagnesium bromides allowed the subsequent cyclization to the seven-membered ring thieno[3,2-e][1,4]diazepinone in 52-99% yields or to the six-membered ring thieno[3,2-b]pyridinones in 45-55% yields. Effective syntheses introducing considerable diversity onto these valuable scaffolds are described.

  DOI：

  10.1021/jo900627a

文献信息

• From Thienodiazepinediones to Thienopyridinones: Flexible Synthesis of Substituted Thieno[3,2-<i>e</i>][1,4]diazepinones and 6-Aminothieno[3,2-<i>b</i>]pyridinones
  作者：Yann Brouillette、Jean Martinez、Vincent Lisowski

  DOI：10.1021/jo900627a

  日期：2009.7.17

  N-Substituted thienodiazepinedione opening with a series of organomagnesium bromides allowed the subsequent cyclization to the seven-membered ring thieno[3,2-e][1,4]diazepinone in 52-99% yields or to the six-membered ring thieno[3,2-b]pyridinones in 45-55% yields. Effective syntheses introducing considerable diversity onto these valuable scaffolds are described.