2-(5-ethylpyridin-2-yl)-1-propan-1,3-diol | 127676-18-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(5-ethylpyridin-2-yl)-1-propan-1,3-diol
• 英文别名: 2-(5-Ethyl-2-pyridinyl)-1,3-propanediol；2-(5-ethylpyridin-2-yl)propane-1,3-diol
• CAS: 127676-18-0
• 化学式: C₁₀H₁₅NO₂
• 分子量: 181.235
• InChiKey: YNAYNPZHSUGQLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.71
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  53.35
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(5-ethylpyridin-2-yl)-1-propan-1,3-diol 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 21.0h， 生成 吡格列酮杂质5
  参考文献：
  名称：

  Development of an Improved and Scalable Process for 2-(5-Ethylpyridin-2-yl)ethan-1-ol: Solvent-Free Reaction and Recycling of the Starting Material 5-Ethyl-2-picoline

  摘要：

  The main objective of this exercise was to develop a more efficient process for 2-(5-ethylpyridin-2-yl)ethan-1-ol (1), which is the key intermediate in the synthesis of pioglitazone hydrochloride. This process not only features the yield improvement of (1) by optimizing reaction variables in solvent-free conditions but also highlights improving the mass efficiency of 5-ethyl-2-picoline (2), thereby reducing the effluent load per kilogram of the intermediate.

  DOI：

  10.1021/op400196y
• 作为产物：
  描述：

  5-乙基-2-甲基-吡啶 、 聚合甲醛 以 水 为溶剂， 反应 10.0h， 生成 2-(5-ethylpyridin-2-yl)-1-propan-1,3-diol
  参考文献：
  名称：

  Development of an Improved and Scalable Process for 2-(5-Ethylpyridin-2-yl)ethan-1-ol: Solvent-Free Reaction and Recycling of the Starting Material 5-Ethyl-2-picoline

  摘要：

  The main objective of this exercise was to develop a more efficient process for 2-(5-ethylpyridin-2-yl)ethan-1-ol (1), which is the key intermediate in the synthesis of pioglitazone hydrochloride. This process not only features the yield improvement of (1) by optimizing reaction variables in solvent-free conditions but also highlights improving the mass efficiency of 5-ethyl-2-picoline (2), thereby reducing the effluent load per kilogram of the intermediate.

  DOI：

  10.1021/op400196y

文献信息

• Sohda; Momose; Meguro, Arzneimittel-Forschung/Drug Research, 1990, vol. 40, # 1, p. 37 - 42
  作者：Sohda、Momose、Meguro、Kawamatsu、Sugiyama、Ikeda

  DOI：——

  日期：——
• SOHDA, T.;MOMOSE, Y.;MEGURO, K.;KAWAMATSU, Y.;SUGIYAMA, Y.;IKEDA, H., ARZNEIM.-FOSRCH, 40,(1990) N, C. 37-42
  作者：SOHDA, T.、MOMOSE, Y.、MEGURO, K.、KAWAMATSU, Y.、SUGIYAMA, Y.、IKEDA, H.

  DOI：——

  日期：——