1,1,3-trimethyl-3H-thiazolo[3,4-a][1,3]benzimidazole | 116849-88-8

• 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: 1,1,3-trimethyl-3H-thiazolo[3,4-a][1,3]benzimidazole
• 英文别名: 1,1,3-trimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole
• CAS: 116849-88-8
• 化学式: C₁₂H₁₄N₂S
• 分子量: 218.323
• InChiKey: SEHMZWNEOYRAOO-UHFFFAOYSA-N

物化性质

• 沸点：
  387.2±35.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  硫代乳酸 、 邻苯二胺 、 丙酮 以 苯 为溶剂， 反应 15.0h， 以65%的产率得到1,1,3-trimethyl-3H-thiazolo[3,4-a][1,3]benzimidazole
  参考文献：
  名称：

  A Simple, One-Pot Synthesis of Novel 1H, 3H-Thiazolo-[3,4-a]benzimidazoles

  摘要：

  一种新颖的一锅法合成1H,3H-噻唑并[3,4-a]苯并咪唑已被开发出来，该方法是通过邻苯二胺、2-巯基羧酸与多种羰基化合物在回流的苯中反应实现的。

  DOI：

  10.1055/s-1988-27531

文献信息

• A combinatorial access to 1,5-benzodiazepine derivatives and their evaluation for aldose reductase inhibition
  作者：Minodora Pozarentzi、Julia Stephanidou-Stephanatou、Constantinos A. Tsoleridis、Chariklia Zika、Vassilis Demopoulos

  DOI：10.1016/j.tet.2009.06.080

  日期：2009.9

  Aryldiazepinothiophenones 4 were prepared from the reaction of o-phenylenediamines with acetone in the presence of 2-mercaptocarboxylic acids along with thiazolobenzodiazepines 6, thiazolobenzimidazoles 7 and 1,5-benzodiazepines 5, which were obtained as by-products. The benzodiazepinothiophenones 4a-d and the benzodiazepines 5a-d were also isolated from the reaction of o-phenylenediamines 1a-c with phorone. Structural assignments of the new compounds as well as complete assignment of H-1 and C-13 NMR signals were based on the analysis of their H-1 and C-13 NMR (1 D and 2D), IR, MS and elemental analysis data. Compounds 4 were evaluated for aldose reductase inhibition and also as antioxidants. (C) 2009 Elsevier Ltd. All rights reserved.
• A Simple, One-Pot Synthesis of Novel 1<i>H</i>, 3<i>H</i>-Thiazolo-[3,4-<i>a</i>]benzimidazoles
  作者：Alba Chimirri、Silvana Grasso、Pietro Monforte、Giovanni Romeo、Maria Zappalà

  DOI：10.1055/s-1988-27531

  日期：——

  A novel one-pot synthesis of 1H,3H-thiazolo[3,4-a]benzimidazoles has been developed by the reaction between o-phenylenediamine, 2-mercaptocarboxylic acid and a variety of carbonyl compounds in refluxing benzene.

  一种新颖的一锅法合成1H,3H-噻唑并[3,4-a]苯并咪唑已被开发出来，该方法是通过邻苯二胺、2-巯基羧酸与多种羰基化合物在回流的苯中反应实现的。