ethyl 3-1-[2-(ethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-indol-2-yl-2-propynoate | 1037588-31-0

• 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: ethyl 3-1-[2-(ethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-indol-2-yl-2-propynoate
• 英文别名: Ethyl 3-[1-(2-ethylsulfanylethyl)-4,5,6,7-tetrahydroindol-2-yl]prop-2-ynoate；ethyl 3-[1-(2-ethylsulfanylethyl)-4,5,6,7-tetrahydroindol-2-yl]prop-2-ynoate
• CAS: 1037588-31-0
• 化学式: C₁₇H₂₃NO₂S
• 分子量: 305.441
• InChiKey: CVPPVVAZVUZRHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(2-ethylsulfanyl-ethyl)-4,5,6,7-tetrahydro-indole 、 3-溴丙酸乙酯 在 potassium carbonate 作用下， 反应 1.0h， 以71%的产率得到ethyl 3-1-[2-(ethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-indol-2-yl-2-propynoate
  参考文献：
  名称：

  Chemo- and regioselective ethynylation of 4,5,6,7-tetrahydroindoles with ethyl 3-halo-2-propynoates

  摘要：

  4,5,6,7-Tetrahydroindoles undergo a rapid, facile (rt, 60 min) ethynylation with ethyl 3-halo-2-propynoates upon grinding with solid K(2)CO(3) (without solvent) at C-2 of the tetrahydroindole ring to afford ethyl 3-(4,5,6,7-tetrahydroindol-2-yl)-2-propynoates in 62-90% yield. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.046

文献信息

• Chemo- and regioselective ethynylation of 4,5,6,7-tetrahydroindoles with ethyl 3-halo-2-propynoates
  作者：Boris A. Trofimov、Lyubov’ N. Sobenina、Zinaida V. Stepanova、Ol’ga V. Petrova、Igor’ A. Ushakov、Al’bina I. Mikhaleva

  DOI：10.1016/j.tetlet.2008.04.046

  日期：2008.6

  4,5,6,7-Tetrahydroindoles undergo a rapid, facile (rt, 60 min) ethynylation with ethyl 3-halo-2-propynoates upon grinding with solid K(2)CO(3) (without solvent) at C-2 of the tetrahydroindole ring to afford ethyl 3-(4,5,6,7-tetrahydroindol-2-yl)-2-propynoates in 62-90% yield. (c) 2008 Elsevier Ltd. All rights reserved.