2,3-dihydro-7-methyl-4-(4-morpholinyl)-1,3-dioxo-2-phenyl-1H-isoindole-5-carbonitrile | 1133981-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2,3-dihydro-7-methyl-4-(4-morpholinyl)-1,3-dioxo-2-phenyl-1H-isoindole-5-carbonitrile
• 英文别名: 7-Methyl-4-morpholin-4-yl-1,3-dioxo-2-phenylisoindole-5-carbonitrile；7-methyl-4-morpholin-4-yl-1,3-dioxo-2-phenylisoindole-5-carbonitrile
• CAS: 1133981-71-1
• 化学式: C₂₀H₁₇N₃O₃
• 分子量: 347.373
• InChiKey: ZTRYROYAMLRHPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  73.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-苯基马来酰亚胺 、 5-methyl-2-(4-morpholinyl)-3-furancarbonitrile 以 溶剂黄146 为溶剂， 反应 8.0h， 以81%的产率得到2,3-dihydro-7-methyl-4-(4-morpholinyl)-1,3-dioxo-2-phenyl-1H-isoindole-5-carbonitrile
  参考文献：
  名称：

  Diels-Alder Reaction of 2-(Cyclic Amino)-Substituted 3-Furancarbonitriles with Maleimides to Phthalimides

  摘要：

  An efficient Diels-Alder reaction is described in the furan series, leading to phthalimides in high yields. Thermal treatment of 2-(4-morpholinyl, 1-piperidinyl, and 1-pyrrolidinyl)-3-furancarbortitfiles with maleimide derivatives, e.g. maleimide, N-methylmaleimide, N-benzylmaleimide, N-phenylmaleimide and N-(4-nitrophenyl)maleimide, in boiling acetic acid caused a [4 + 2] cycloaddition reaction to give the corresponding phthalimide derivatives.

  DOI：

  10.3987/com-08-s(f)34

文献信息

• Diels-Alder Reaction of 2-(Cyclic Amino)-Substituted 3-Furancarbonitriles with Maleimides to Phthalimides
  作者：Hiroshi Maruoka、Fumi Okabe、Yoshimichi Koutake、Toshihiro Fujioka、Kenji Yamagata

  DOI：10.3987/com-08-s(f)34

  日期：——

  An efficient Diels-Alder reaction is described in the furan series, leading to phthalimides in high yields. Thermal treatment of 2-(4-morpholinyl, 1-piperidinyl, and 1-pyrrolidinyl)-3-furancarbortitfiles with maleimide derivatives, e.g. maleimide, N-methylmaleimide, N-benzylmaleimide, N-phenylmaleimide and N-(4-nitrophenyl)maleimide, in boiling acetic acid caused a [4 + 2] cycloaddition reaction to give the corresponding phthalimide derivatives.