4-(4-chlorophenyl)-2-(1,1-dimethylethyl)isoquinolin-1(2H)-one | 1034760-33-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(4-chlorophenyl)-2-(1,1-dimethylethyl)isoquinolin-1(2H)-one
• 英文别名: 2-Tert-butyl-4-(4-chlorophenyl)isoquinolin-1-one；2-tert-butyl-4-(4-chlorophenyl)isoquinolin-1-one
• CAS: 1034760-33-2
• 化学式: C₁₉H₁₈ClNO
• 分子量: 311.811
• InChiKey: XRTSJQWUNVAGGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 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：

  2-[1-(4-chlorophenyl)-2-methoxyethenyl]-N-(1,1-dimethylethyl)benzamide 在 氢碘酸 作用下， 以 乙腈 为溶剂， 反应 1.5h， 以64%的产率得到4-(4-chlorophenyl)-2-(1,1-dimethylethyl)isoquinolin-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

• 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.