1-dimethoxymethyl-3,4,5-trimethylimidazole-2(3H)-thione | 1235102-25-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 1-dimethoxymethyl-3,4,5-trimethylimidazole-2(3H)-thione
• 英文别名: 1-(Dimethoxymethyl)-3,4,5-trimethylimidazole-2-thione
• CAS: 1235102-25-6
• 化学式: C₉H₁₆N₂O₂S
• 分子量: 216.304
• InChiKey: FVEYUKQADREGJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,5-dihydro-2,2-dimethoxy-5,5-dimethyl-1,3,4-oxadiazole 、 1,4,5-trimethyl-4-imidazolin-2-one 以 甲苯 为溶剂， 反应 8.0h， 以87%的产率得到1-dimethoxymethyl-3,4,5-trimethylimidazole-2(3H)-thione
  参考文献：
  名称：

  Unexpected Insertion Reaction of Dimethoxycarbene with Imidazole-2(3H)-thiones

  摘要：

  The reaction of in situ generated dimethoxycarbene with 1,4,5-trisubstituted imidazole-2(3H)-thiones yields 3-(dimethoxymethyl)imidazole-2(3H)-thiones in good yields via insertion into the N-H bond. The structure of the products was established by spectroscopic data and, in the case of 7b, by X-ray crystallography.

  DOI：

  10.1080/10426501003773761

文献信息

• Unexpected Insertion Reaction of Dimethoxycarbene with Imidazole-2(3<i>H</i>)-thiones
  作者：Grzegorz Mlostoń、Heinz Heimgartner

  DOI：10.1080/10426501003773761

  日期：2010.5.27

  The reaction of in situ generated dimethoxycarbene with 1,4,5-trisubstituted imidazole-2(3H)-thiones yields 3-(dimethoxymethyl)imidazole-2(3H)-thiones in good yields via insertion into the N-H bond. The structure of the products was established by spectroscopic data and, in the case of 7b, by X-ray crystallography.