4-ethyl-3-methylisoquinoline | 81698-79-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 4-ethyl-3-methylisoquinoline
• CAS: 81698-79-5
• 化学式: C₁₂H₁₃N
• 分子量: 171.242
• InChiKey: YIWXVQBYENDIHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-ethyl-3-methylisoquinoline 在 bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 (R)-synphos 、 氢气 作用下， 以 甲苯 为溶剂， 70.0 ℃ 、275.8 kPa 条件下， 反应 24.0h， 生成 3-methyl-4-ethyl-1,2,3,4-tetrahydroisoquinoline 、 3-methyl-4-ethyl-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Enantioselective Iridium-Catalyzed Hydrogenation of 3,4-Disubstituted Isoquinolines

  摘要：

  DOI：

  10.1002/anie.201203647
• 作为产物：
  描述：

  3-甲基异喹啉 、 溴乙烷 在 lithium cyclohexylisopropylamide 作用下， 以41%的产率得到4-ethyl-3-methylisoquinoline
  参考文献：
  名称：

  Gisby, Graham P.; Sammes, Peter G.; Watt, Robert A., Journal of the Chemical Society. Perkin transactions I, 1982, p. 249 - 256

  摘要：

  DOI：

文献信息

• GISBY, G. P.;SAMMES, P. G.;WATT, R. A., J. CHEM. SOC. PERKIN. TRANS., 1982, N 1, 249-255
  作者：GISBY, G. P.、SAMMES, P. G.、WATT, R. A.

  DOI：——

  日期：——
• Opiate analogs selective for the delta-opioid receptor
  申请人：Welsh J. William

  公开号：US20070105884A1

  公开（公告）日：2007-05-10

  Novel compounds which selectively bind to the δ-opioid receptor have been designed. These compounds have greater selectivity, improved water (blood) solubility, and enhanced therapeutic value as analgesics. Because agonists with selectivity for the δ-opioid receptor have shown promise in providing enhanced analgesis without the addictive properties, the compounds of the present invention are better than morphine, naltrindole (NTI), spiroindanyloxymorphone (SIOM), and other known μ-opioid receptor selectors as analgesics.
• ORGANIC METAL COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND
  申请人：LG DISPLAY CO., LTD.

  公开号：US20220223803A1

  公开（公告）日：2022-07-14

  The present disclosure relates to an organic metal compound, an organic light emitting diode and organic light emitting device having the same, in particular, to an organic metal compound having the following structure of Formula 1, an organic light emitting diode (OLED) and an organic light emitting device that includes the organic metal compound. The OLED and the organic light emitting device including the organic metal compound can improve their luminous efficiency, luminous color purity and luminous lifespan.
• Enantioselective Iridium-Catalyzed Hydrogenation of 3,4-Disubstituted Isoquinolines
  作者：Lei Shi、Zhi-Shi Ye、Liang-Liang Cao、Ran-Ning Guo、Yue Hu、Yong-Gui Zhou

  DOI：10.1002/anie.201203647

  日期：2012.8.13
• Gisby, Graham P.; Sammes, Peter G.; Watt, Robert A., Journal of the Chemical Society. Perkin transactions I, 1982, p. 249 - 256
  作者：Gisby, Graham P.、Sammes, Peter G.、Watt, Robert A.

  DOI：——

  日期：——