3-(5-bromo-1H-indol-3-yl)propyl acetate | 1148108-75-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-(5-bromo-1H-indol-3-yl)propyl acetate
• CAS: 1148108-75-1
• 化学式: C₁₃H₁₄BrNO₂
• 分子量: 296.164
• InChiKey: FDZNKWFMAZFXFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  42.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(5-bromo-1H-indol-3-yl)propyl acetate 在 甲醇 、 氢氧化钾 作用下， 生成 3-(5-bromo-1H-indol-3-yl)propan-1-ol
  参考文献：
  名称：

  A direct and simple approach for the synthesis of indole-3-propanol and its acetates from dihydropyran

  摘要：

  A general method was developed for the one-pot synthesis of highly functionalized indoles from simple, commercially available phenylhydrazine hydrochlorides and dihydropyran. Synthesis of indole-3-propanol and its acetates was studied extensively for appropriate acetic acid and water mixture as the solvent.

  DOI：

  10.1007/s00706-008-0945-x
• 作为产物：
  描述：

  3,4-二氢-2H-吡喃 、 4-溴苯肼盐酸盐 、 溶剂黄146 以 水 为溶剂， 反应 2.53h， 以55%的产率得到3-(5-bromo-1H-indol-3-yl)propyl acetate
  参考文献：
  名称：

  A direct and simple approach for the synthesis of indole-3-propanol and its acetates from dihydropyran

  摘要：

  A general method was developed for the one-pot synthesis of highly functionalized indoles from simple, commercially available phenylhydrazine hydrochlorides and dihydropyran. Synthesis of indole-3-propanol and its acetates was studied extensively for appropriate acetic acid and water mixture as the solvent.

  DOI：

  10.1007/s00706-008-0945-x