2-(2,6-Dimethylphenyl)isoquinolin-1(2H)-one | 137515-86-7

• 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-(2,6-Dimethylphenyl)isoquinolin-1(2H)-one
• 英文别名: 2-(2,6-dimethylphenyl)isoquinolin-1-one
• CAS: 137515-86-7
• 化学式: C₁₇H₁₅NO
• 分子量: 249.312
• InChiKey: NQGIYDUGZWIPDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  在 CO 、 H⁽¹⁺⁾ 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 生成 2-(2,6-Dimethylphenyl)isoquinolin-1(2H)-one
  参考文献：
  名称：

  镍的双核络合物，由烃配体桥接。异氰酸酯的插入化学和酰胺基和酰亚胺基官能团的分子内偶联形成酰胺

  摘要：

  Ni(cod)(PMe3)2 and the o-, m-, and p-bromobenzyl bromides react, under appropriate conditions, to afford the binuclear complexes Ni2(mu(2)-eta(3),eta(1)-CH2C6H4)Br2(PMe3)3 (1a-c) or Ni2(mu(2)-eta(1),eta(1)-CH2C6H4)Br2(PMe3)4 (2b,c). The reaction of the ortho eta(3)-benzylic derivative 1a with isocyanides, CNR, has been investigated, and three different isomeric species have been identified for R = Bu(t). The CNC6H3-2,6-Me2 insertion product, 4, reacts with CO to form a Ni(II)-vinyl complex 7 derived from the N-aryl-1-isoquinolone 8, which can be freed by hydrolytic cleavage of the Ni-vinyl bond.

  DOI：

  10.1021/om00037a006

文献信息

• Binuclear complexes of nickel bridged by hydrocarbon ligands. Isocyanide insertion chemistry and amide formation by intramolecular coupling of acyl and imidoyl functionalities
  作者：Juan Campora、Ernesto Carmona、Enrique Gutierrez、Pilar Palma、Manuel L. Poveda、Caridad Ruiz

  DOI：10.1021/om00037a006

  日期：1992.1

  Ni(cod)(PMe3)2 and the o-, m-, and p-bromobenzyl bromides react, under appropriate conditions, to afford the binuclear complexes Ni2(mu(2)-eta(3),eta(1)-CH2C6H4)Br2(PMe3)3 (1a-c) or Ni2(mu(2)-eta(1),eta(1)-CH2C6H4)Br2(PMe3)4 (2b,c). The reaction of the ortho eta(3)-benzylic derivative 1a with isocyanides, CNR, has been investigated, and three different isomeric species have been identified for R = Bu(t). The CNC6H3-2,6-Me2 insertion product, 4, reacts with CO to form a Ni(II)-vinyl complex 7 derived from the N-aryl-1-isoquinolone 8, which can be freed by hydrolytic cleavage of the Ni-vinyl bond.