1,3-dioxolane-2-propane-1,3-thiol | 119264-92-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧戊环
• 英文名称: 1,3-dioxolane-2-propane-1,3-thiol
• 英文别名: 3-(1,3-Dioxolan-2-yl)propane-1-thiol
• CAS: 119264-92-5
• 化学式: C₆H₁₂O₂S
• 分子量: 148.226
• InChiKey: KPUJOXKNCKGVDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  19.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2-Benzenesulfonyl-3-methyl-3H-imidazol-4-yl)-(4-chlorophenyl)-methanone 、 1,3-dioxolane-2-propane-1,3-thiol 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以78%的产率得到(4-Chlorophenyl)-[2-[3-(1,3-dioxolan-2-yl)propylsulfanyl]-3-methylimidazol-4-yl]methanone
  参考文献：
  名称：

  Novel imidazole-based histamine H3 antagonists

  摘要：

  A novel series of imidazole containing histamine H-3 receptor ligands were investigated and found to be potent functional antagonists. After improving the stability of these molecules towards liver microsomes, these compounds were found to have no appreciable affinity for CYP P450s. Subsequent in vivo experiments showed significant brain uptake of (4-chloro-phenyl)-[2-(1-isopropyl-piperidin-4-ylmethoxy)-3-methyl-3H-imidazol-4-yl]-methanone 22. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.114
• 作为产物：
  描述：

  Thioacetic acid S-(3-[1,3]dioxolan-2-yl-propyl) ester 在 sodium hydroxide 作用下， 以 丙酮 为溶剂， 生成 1,3-dioxolane-2-propane-1,3-thiol
  参考文献：
  名称：

  A general and mild synthesis of thioesters and thiols from halides

  摘要：

  The conversion of a wide variety of halides to thioesters by reaction with potassium thiocetate under mild conditions is described, and the generality of the method is demonstrated. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02545-3