6-Methoxy-2-methyl-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinolin-1-one | 1132791-48-0

• 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: 6-Methoxy-2-methyl-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinolin-1-one
• CAS: 1132791-48-0
• 化学式: C₁₈H₁₆F₃NO₃
• 分子量: 351.325
• InChiKey: KEVUNYABGOYAJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-Methoxy-2-methyl-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinolin-1-one 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以88%的产率得到6-methoxy-2-methyl-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline
  参考文献：
  名称：

  Pd-catalyzed ortho-arylation of 3,4-dihydroisoquinolones via C–H bond activation: synthesis of 8-aryl-1,2,3,4-tetrahydroisoquinolines

  摘要：

  An efficient route to synthesize biologically interesting 8-aryl-1,2,3,4-tetrahydroisoquinoline has been developed. It involves the Pd-catalyzed direct arylation of 3,4-dihydroisoquinolones via C-H bond activation with aryl iodides to afford a variety of 8-arylated cross-coupling products. which are subsequently reduced to 8-aryl-1,2,3,4-tetrahydroisoquinolines in good to excellent yields. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.010
• 作为产物：
  描述：

  6-methoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one 、 1-碘-4-(三氟甲氧基)苯 在 silver(I) acetate 、 palladium diacetate 、 三氟乙酸 作用下， 反应 7.0h， 以80%的产率得到6-Methoxy-2-methyl-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinolin-1-one
  参考文献：
  名称：

  Pd-catalyzed ortho-arylation of 3,4-dihydroisoquinolones via C–H bond activation: synthesis of 8-aryl-1,2,3,4-tetrahydroisoquinolines

  摘要：

  An efficient route to synthesize biologically interesting 8-aryl-1,2,3,4-tetrahydroisoquinoline has been developed. It involves the Pd-catalyzed direct arylation of 3,4-dihydroisoquinolones via C-H bond activation with aryl iodides to afford a variety of 8-arylated cross-coupling products. which are subsequently reduced to 8-aryl-1,2,3,4-tetrahydroisoquinolines in good to excellent yields. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.010

文献信息

• Pd-catalyzed ortho-arylation of 3,4-dihydroisoquinolones via C–H bond activation: synthesis of 8-aryl-1,2,3,4-tetrahydroisoquinolines
  作者：Junwon Kim、Mina Jo、Wonyoung So、Zaesung No

  DOI：10.1016/j.tetlet.2009.01.010

  日期：2009.3

  An efficient route to synthesize biologically interesting 8-aryl-1,2,3,4-tetrahydroisoquinoline has been developed. It involves the Pd-catalyzed direct arylation of 3,4-dihydroisoquinolones via C-H bond activation with aryl iodides to afford a variety of 8-arylated cross-coupling products. which are subsequently reduced to 8-aryl-1,2,3,4-tetrahydroisoquinolines in good to excellent yields. (C) 2009 Elsevier Ltd. All rights reserved.