1,3-bis((E)-(tert-butylimino)methyl)-1H-benzo[d]imidazole-2(3H)-thione | 1309579-36-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1,3-bis((E)-(tert-butylimino)methyl)-1H-benzo[d]imidazole-2(3H)-thione
• CAS: 1309579-36-9
• 化学式: C₁₇H₂₄N₄S
• 分子量: 316.47
• InChiKey: DCWHQUZWWZMRLT-GDAWTGGTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.52
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  34.58
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  异氰酸叔丁酯 、 1H-苯并咪唑-2-硫醇 以 乙腈 为溶剂， 反应 16.0h， 以34%的产率得到1,3-bis((E)-(tert-butylimino)methyl)-1H-benzo[d]imidazole-2(3H)-thione
  参考文献：
  名称：

  Ultrasound irradiation promoted catalyst-free construction of formamidine framework using isocyanide as building blocks

  摘要：

  Reactions of isocyanides with 2-mercaptobenzothiazole and 2-mercaptobenzoxazole afforded a series of compounds containing formamidine framework in moderate to high yields. These organic transformations were performed under mild and catalyst-free conditions. In addition to promoting the reactions, the use of ultrasound irradiation also allowed the process to be carried out under air atmosphere. A possible reaction mechanism was proposed based on the experimental results. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.100