1-Methyl-2-<(4-methoxybenzoyl)methyl>benzimidazole | 141357-25-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-Methyl-2-<(4-methoxybenzoyl)methyl>benzimidazole
• 英文别名: 1-(4-Methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
• CAS: 141357-25-7
• 化学式: C₁₇H₁₆N₂O₂
• 分子量: 280.326
• InChiKey: HWCINOWVGIQVFB-UHFFFAOYSA-N

物化性质

• 沸点：
  509.8±30.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-methoxybenzoic acid 1-(4-methoxyphenyl)-2-(1-methyl-1H-benzo[d]imidazol-2-yl)ethenyl ester 在 吗啉 作用下， 以 甲醇 为溶剂， 反应 0.08h， 生成 1-Methyl-2-<(4-methoxybenzoyl)methyl>benzimidazole
  参考文献：
  名称：

  1-甲基-2-苯并咪唑溶液中的互变异构平衡

  摘要：

  摘要 迄今为止，尚未仔细研究 1-methyl-2-phenacylbenzimidazoles 对质子转移的敏感性。只有选择性试验来识别取代化合物的互变异构平衡。不幸的是，这些研究的结论常常相互矛盾。因此，本工作的目的是通过 1 H 和 13 C NMR 光谱技术分析影响取代的 1-甲基-2-苯并咪唑在氯仿溶液中互变异构过程的因素的影响。只有当互变异构物质的分子包含多个碱性和/或酸性中心时，才会发生复杂的平衡。

  DOI：

  10.1016/j.molstruc.2016.12.050

文献信息

• A New Route to 3<i>H</i>-1,5-Benzodiazepines and Heterocylic Ketene Aminals from Benzoyl Substituted Ketene Dithioacetals and Diamines
  作者：Zhi-Tang Huang、Mei-Xiang Wang

  DOI：10.1055/s-1992-26356

  日期：——

  Heterocyclic ketene aminals 5 or 3H-1,5-benzodiazepines 4 were obtained from the reaction of benzoyl substituted ketene dithioacetals 1 with various diamines 2. The mechansim of formation of these two different products are discussed.

  异环酮亚胺5或3H-1,5-苯二氮杂萘4是通过苯甲酰取代的酮二硫代乙酸酯1与各种二胺2反应获得的。讨论了这两种不同产物的形成机制。
• The synthesis and tautomerization of ketene aminals with benzimidazoline ring
  作者：Zhi-Tang Huang、Mei-Xiang Wang

  DOI：10.1016/s0040-4020(01)88754-8

  日期：1992.3

  The first isolation of benzimidazoline ring substituted ketene aminals 7a-c and/or their amidine tautomers 7'b-d, which were synthesized by the reactions: (1) benzoyl substituted ketene mercaptals 3 with N-methyl-o-phenylenediamine 4, and (2) 1,2-dimethylbenzimidazole 5 with ethyl benzoates 6, were disclosed. The tautomeric equilibrium between 7 and 7', along with benzothiazoline and benzoxazoline ring substituted ketene N,S-acetals 8 and 8' and ketene N,O-acetals 9 and 9', were discussed.
• Tautomeric equilibria in solutions of 1-methyl-2-phenacylbenzimidazoles
  作者：Agnieszka Skotnicka、Przemysław Czeleń、Ryszard Gawinecki

  DOI：10.1016/j.molstruc.2016.12.050

  日期：2017.4

  transfer has not been carefully examined. There only have been selective trials to recognize tautomeric equilibrium of substituted compounds. Unfortunately, conclusions of these studies are often conflicting. Therefore, the aim of this work was to analyze the influence of the factors affecting the tautomeric processes of substituted 1-methyl-2-phenacylbenzimidazoles in solutions of chloroform by spectroscopic

  摘要 迄今为止，尚未仔细研究 1-methyl-2-phenacylbenzimidazoles 对质子转移的敏感性。只有选择性试验来识别取代化合物的互变异构平衡。不幸的是，这些研究的结论常常相互矛盾。因此，本工作的目的是通过 1 H 和 13 C NMR 光谱技术分析影响取代的 1-甲基-2-苯并咪唑在氯仿溶液中互变异构过程的因素的影响。只有当互变异构物质的分子包含多个碱性和/或酸性中心时，才会发生复杂的平衡。