3-hydroxy-10-(methoxycarbonylmethyl)benzimidazo[2,1-b]-1,3-thiazanium iodide | 1243549-62-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-hydroxy-10-(methoxycarbonylmethyl)benzimidazo[2,1-b]-1,3-thiazanium iodide
• 英文别名: methyl 2-(3-hydroxy-3,4-dihydro-2H-[1,3]thiazino[2,3-b]benzimidazol-5-ium-10-yl)acetate;iodide
• CAS: 1243549-62-3
• 化学式: C₁₃H₁₅N₂O₃S*I
• 分子量: 406.244
• InChiKey: AHJKULQTQKPWGF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.43
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  80.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-hydroxy-10-(methoxycarbonylmethyl)benzimidazo[2,1-b]-1,3-thiazanium iodide 、 环氧氯丙烷 以85%的产率得到3-(2,3-epithiopropyl)-1-(methoxycarbonylmethyl)benzimidazol-2-one
  参考文献：
  名称：

  Recyclization of benzimidazo[2,1-b]thiazanium salts into 1-(2,3-epithiopropyl)benzimidazol-2-ones under the action of epichlorhydrin

  摘要：

  It has been shown that the reaction of epichlorhydrin with 3-hydroxybenzimidazo[2,1-b]thiazanium salts leads to recyclization of the thiazanium ring with the formation of substituted 1-(2,3-epithiopropyl)benzimidazol-2-ones in high yield. The proposed method enables the introduction of functional groups unstable in alkaline medium into the structure of thiirane derivatives.

  DOI：

  10.1007/s10593-010-0511-4

文献信息

• Recyclization of benzimidazo[2,1-b]thiazanium salts into 1-(2,3-epithiopropyl)benzimidazol-2-ones under the action of epichlorhydrin
  作者：M. A. Orlov、A. F. Aslanov、N. I. Korotkikh

  DOI：10.1007/s10593-010-0511-4

  日期：2010.7

  It has been shown that the reaction of epichlorhydrin with 3-hydroxybenzimidazo[2,1-b]thiazanium salts leads to recyclization of the thiazanium ring with the formation of substituted 1-(2,3-epithiopropyl)benzimidazol-2-ones in high yield. The proposed method enables the introduction of functional groups unstable in alkaline medium into the structure of thiirane derivatives.