2-(4-chlorophenyl)-4-methylisoquinolin-1(2H)-one | 1034760-35-4

• 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-(4-chlorophenyl)-4-methylisoquinolin-1(2H)-one
• 英文别名: 2-(4-Chlorophenyl)-4-methylisoquinolin-1-one；2-(4-chlorophenyl)-4-methylisoquinolin-1-one
• CAS: 1034760-35-4
• 化学式: C₁₆H₁₂ClNO
• 分子量: 269.73
• InChiKey: GIXGMINSPFGSFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  N-(4-chlorophenyl)-2-(2-methoxy-1-methylethenyl)benzamide 在 氢碘酸 作用下， 以 乙腈 为溶剂， 反应 1.5h， 以71%的产率得到2-(4-chlorophenyl)-4-methylisoquinolin-1(2H)-one
  参考文献：
  名称：

  Synthesis of 2,4-Disubstituted Isoquinolin-1(2H)-ones Based on Reactions of a-Substituted 2-Lithio-b-methoxystyrenes with Isocyanates

  摘要：

  An efficient method for the preparation of 2,4-disubstituted isoquinolin-1(2H)-ones is described. The reaction of alpha-substituted 2-lithio-beta-methoxystyrenes, generated by treating alpha-substituted 2-bromo-beta-methoxystyrenes with butyllithium, with isocyanates yields the corresponding a-substituted 2-(2-methoxyvinyl)benzamide derivatives, which in turn are transformed into 2,4-disubstituted isoquinolin-1(2H)-ones on treatment with a catalytic amount of concentrated hydriodic acid.

  DOI：

  10.3987/com-07-11304

文献信息

• Intramolecular Heck Reaction of Arylbromides as a Route to Isoquinolinone Derivatives
  作者：Latibuddin Thander

  DOI：10.59467/ijhc.2023.33.79

  日期：——
• Synthesis of 2,4-Disubstituted Isoquinolin-1(2H)-ones Based on Reactions of a-Substituted 2-Lithio-b-methoxystyrenes with Isocyanates
  作者：Kazuhiro Kobayashi、Kazutaka Hayashi、Changeng Nam、Shuhei Fukamachi、Hisatoshi Konishi

  DOI：10.3987/com-07-11304

  日期：——

  An efficient method for the preparation of 2,4-disubstituted isoquinolin-1(2H)-ones is described. The reaction of alpha-substituted 2-lithio-beta-methoxystyrenes, generated by treating alpha-substituted 2-bromo-beta-methoxystyrenes with butyllithium, with isocyanates yields the corresponding a-substituted 2-(2-methoxyvinyl)benzamide derivatives, which in turn are transformed into 2,4-disubstituted isoquinolin-1(2H)-ones on treatment with a catalytic amount of concentrated hydriodic acid.