4-fluoro-5,6,7,8-tetraphenyl-isoquinoline-1-carboxylic acid diethylamide | 1609562-78-8

• 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-fluoro-5,6,7,8-tetraphenyl-isoquinoline-1-carboxylic acid diethylamide
• 英文别名: N,N-diethyl-4-fluoro-5,6,7,8-tetraphenylisoquinoline-1-carboxamide
• CAS: 1609562-78-8
• 化学式: C₃₈H₃₁FN₂O
• 分子量: 550.675
• InChiKey: XOUOHMRVKIILKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N,N-diethyl-5-fluoropyridine-2-carboxamide 、 二苯基乙炔 在 silver hexafluoroantimonate 、 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 copper diacetate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 24.0h， 以88%的产率得到4-fluoro-5,6,7,8-tetraphenyl-isoquinoline-1-carboxylic acid diethylamide
  参考文献：
  名称：

  Efficient Synthesis of Isoquinolines via Rh(III)-Catalyzed Oxidative Annu­lation of Picolinamides with Alkynes

  摘要：

  An efficient synthesis of isoquinolines via Rh(III)-catalyzed oxidative annulation of picolinamides with alkynes using Cu(OAc)(2) as an oxidant has been developed. The scope of the reaction was studied with a selection of various picolinamides and alkynes, and the desired isoquinolines were obtained in good to excellent yields.

  DOI：

  10.1055/s-0033-1340870

文献信息

• Rh(<scp>iii</scp>)-catalyzed regioselective hydroarylation of alkynes via directed C–H functionalization of pyridines
  作者：Zhen-Chao Qian、Jun Zhou、Bo Li、Fang Hu、Bing-Feng Shi

  DOI：10.1039/c4ob00612g

  日期：——

  Rh(iii)-catalyzed C-3 selective alkenylation of pyridines via hydroarylation of alkynes has been developed. The reaction shows high regioselectivity, high yield and good functional group tolerance, providing a convenient strategy for the synthesis of trisubstituted alkenes.

  Rh(III)-催化的吡啶C-3位选择性烯烃化反应通过炔烃的氢芳基化已经开发出来。该反应表现出高区域选择性、高产率和良好的官能团容忍性，为三取代烯烃的合成提供了便捷的策略。
• Efficient Synthesis of Isoquinolines via Rh(III)-Catalyzed Oxidative Annu­lation of Picolinamides with Alkynes
  作者：Bing-Feng Shi、Zhen-Chao Qian、Jun Zhou、Bo Li

  DOI：10.1055/s-0033-1340870

  日期：——

  An efficient synthesis of isoquinolines via Rh(III)-catalyzed oxidative annulation of picolinamides with alkynes using Cu(OAc)(2) as an oxidant has been developed. The scope of the reaction was studied with a selection of various picolinamides and alkynes, and the desired isoquinolines were obtained in good to excellent yields.