1-fluoromethyl-1-methyl-1H,3H-thiazolo-[3,4-a]benzimidazole

• 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-fluoromethyl-1-methyl-1H,3H-thiazolo-[3,4-a]benzimidazole
• 英文别名: 1-(Fluoromethyl)-1-methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole
• 化学式: C₁₁H₁₁FN₂S
• 分子量: 222.286
• InChiKey: FTUMZDSGDPCRTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氟代丙酮 、 巯基乙酸 、 邻苯二胺 以 苯 为溶剂， 反应 20.0h， 以47.1%的产率得到1-fluoromethyl-1-methyl-1H,3H-thiazolo-[3,4-a]benzimidazole
  参考文献：
  名称：

  1-Fluoromethyl-1-methyl-1H,3H-thiazolo[3,4-a]benzimidazole

  摘要：

  The title compound, C11H11FN2S, was obtained by a one-pot synthetic route from 1,2-phenylenediamine, fluoroacetone and 2-mercaptoacetic acid. Both enantiomers are present in the crystal; they are disordered about a crystallographic mirror plane containing the thiazolobenzimidazole system which, for this reason, is perfectly planar.

  DOI：

  10.1107/s0108270196006026

文献信息

• 1-Fluoromethyl-1-methyl-1H,3H-thiazolo[3,4-a]benzimidazole
  作者：G. Bruno、A. Chimirri、A. M. Monforte、F. Nicoló、R. Scopelliti

  DOI：10.1107/s0108270196006026

  日期：1996.10.15

  The title compound, C11H11FN2S, was obtained by a one-pot synthetic route from 1,2-phenylenediamine, fluoroacetone and 2-mercaptoacetic acid. Both enantiomers are present in the crystal; they are disordered about a crystallographic mirror plane containing the thiazolobenzimidazole system which, for this reason, is perfectly planar.