2-Methyl-8-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-one | 1132791-41-3

• 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: 2-Methyl-8-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-one
• 英文别名: 2-methyl-8-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-one
• CAS: 1132791-41-3
• 化学式: C₁₇H₁₄F₃NO
• 分子量: 305.299
• InChiKey: FCNNCXJUZRFRTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-methyl-3,4-dihydro-2H-isoquinolin-1-one 、 4-碘三氟甲苯 在 silver(I) acetate 、 palladium diacetate 、 三氟乙酸 作用下， 反应 14.0h， 以70%的产率得到2-Methyl-8-[4-(trifluoromethyl)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.