4-Methyl-3-propylisoquinoline | 1433900-55-0

• 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-Methyl-3-propylisoquinoline
• 英文别名: 4-methyl-3-propylisoquinoline
• CAS: 1433900-55-0
• 化学式: C₁₃H₁₅N
• 分子量: 185.269
• InChiKey: JQTVZJUDDYFBQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-已炔 、 苄胺 在 六氟磷酸钾 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 copper diacetate 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 3-Methyl-4-propylisoquinoline 、 4-Methyl-3-propylisoquinoline
  参考文献：
  名称：

  Primary Amines as Directing Groups in the Ru-Catalyzed Synthesis of Isoquinolines, Benzoisoquinolines, and Thienopyridines

  摘要：

  Isoquinolines, benzoisoquinolines, thieno[3,2-c]pyridines and fused heteroaryl[2,3-c] pyridines, with a wide variety of substituents at different positions of the aromatic or heteroaromatic rings, have been synthesized by Ru-catalyzed oxidative coupling of a broad range of benzylamines or heterocycles with internal alkynes. All benzylamines and heterocycles have unprotected primary amines as efficient directing groups.

  DOI：

  10.1021/jo400344m

文献信息

• Primary Amines as Directing Groups in the Ru-Catalyzed Synthesis of Isoquinolines, Benzoisoquinolines, and Thienopyridines
  作者：Pedro Villuendas、Esteban P. Urriolabeitia

  DOI：10.1021/jo400344m

  日期：2013.6.7

  Isoquinolines, benzoisoquinolines, thieno[3,2-c]pyridines and fused heteroaryl[2,3-c] pyridines, with a wide variety of substituents at different positions of the aromatic or heteroaromatic rings, have been synthesized by Ru-catalyzed oxidative coupling of a broad range of benzylamines or heterocycles with internal alkynes. All benzylamines and heterocycles have unprotected primary amines as efficient directing groups.