3,5-dimethyl-6-diisopropoxyphosphonyl-pyrrolo<2.1b>thiazole

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: 3,5-dimethyl-6-diisopropoxyphosphonyl-pyrrolo<2.1b>thiazole
• 英文别名: 7-Diisopropoxyphosphoryl-3,6-dimethyl-pyrrolo[2,1-b]thiazole；7-di(propan-2-yloxy)phosphoryl-3,6-dimethylpyrrolo[2,1-b][1,3]thiazole
• 化学式: C₁₄H₂₂NO₃PS
• 分子量: 315.373
• InChiKey: TWWOLLMNFVRBCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(diisopropoxyphosphonylmethyl)-3-acetonyl-4-methylthiazolium bromide 在 哌啶 作用下， 以 甲苯 为溶剂， 反应 8.0h， 以92%的产率得到3,5-dimethyl-6-diisopropoxyphosphonyl-pyrrolo<2.1b>thiazole
  参考文献：
  名称：

  ADDITIONAL CYCLE FORMATION FROM 2-DIALKOXYPHOSPHONYLMETHYLTHIAZOLE

  摘要：

  Diisopropoxyphosphonyl-2-(4-methylthiazolyl)methane I reacts with carbonyl and alpha -halocarbonyl compounds by three routes. In the case of Knoevenagel or Horner-Wadsworth-Emmons reactions the corresponding ethylenes were produced, whereas employing alpha -halocarbonyls as partners resulted in pyrrolo[2.1b]thiazoles. 1-Phosphonyl-1-(2-thiazolyl)- ethylene undergoes smoothly [4+2] and [3+2] cycloaddition reactions.

  DOI：

  10.1080/10426509808036990

文献信息

• ADDITIONAL CYCLE FORMATION FROM 2-DIALKOXYPHOSPHONYLMETHYLTHIAZOLE
  作者：B. A. Baimashev、N. A. Polezhaeva、E. N. Klimovitskii

  DOI：10.1080/10426509808036990

  日期：1998.1.1

  Diisopropoxyphosphonyl-2-(4-methylthiazolyl)methane I reacts with carbonyl and alpha -halocarbonyl compounds by three routes. In the case of Knoevenagel or Horner-Wadsworth-Emmons reactions the corresponding ethylenes were produced, whereas employing alpha -halocarbonyls as partners resulted in pyrrolo[2.1b]thiazoles. 1-Phosphonyl-1-(2-thiazolyl)- ethylene undergoes smoothly [4+2] and [3+2] cycloaddition reactions.