(3E,5Z)-3-[6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]-5-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,4-dione | 1214273-90-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: (3E,5Z)-3-[6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]-5-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,4-dione
• 英文别名: (3E,5Z)-3-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-5-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,4-dione
• CAS: 1214273-90-1
• 化学式: C₂₆H₂₆N₂O₅
• 分子量: 446.503
• InChiKey: RYHDRYNGAKZKNU-JBFWGNJVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.11
• 重原子数：
  33.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  93.73
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1-carbamoylmethylidene-3,3-dimethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 、 5-(4-甲基苯基)呋喃-2,3-二酮 以 甲苯 为溶剂， 反应 2.0h， 以87%的产率得到(3E,5Z)-3-[6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]-5-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidine-2,4-dione
  参考文献：
  名称：

  Five-membered 2,3-dioxo heterocycles: LXIX. Direct heterocyclization of [3,4-dihydroisoquinolin-1(2H)-ylidene]-acetamides with 5-arylfuran-2,3-diones. Crystalline and molecular structure of (3E,5Z)-3-[3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]-5-(2-oxo-2-phenylethylidene)pyrrolidine-2,4-dione

  摘要：

  5-Arylfuran-2,3-diones react with (Z)-2-[3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]acetamides to give (3E,5Z)-5-(2-aryl-2-oxoethylidene)-3-[3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]-pyrrolidine-2,4-diones. The crystalline and molecular structures of one of the products were determined by X-ray analysis.

  DOI：

  10.1134/s1070428010040159

文献信息

• Direct heterocyclization of tetrahydroisoquinolin-1-ylideneacetic acids by the action of 5-arylfuran-2,3-diones
  作者：V. V. Khalturina、Yu. V. Shklyaev、Z. G. Aliev、A. N. Maslivets

  DOI：10.1134/s1070428009100297

  日期：2009.10