(3E,5Z)-5-[2-(4-chlorophenyl)-2-oxoethylidene]-3-[6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]pyrrolidine-2,4-dione | 1240493-10-0

• 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)-5-[2-(4-chlorophenyl)-2-oxoethylidene]-3-[6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]pyrrolidine-2,4-dione
• CAS: 1240493-10-0
• 化学式: C₂₅H₂₃ClN₂O₅
• 分子量: 466.921
• InChiKey: KBKMNKGNPQKYDX-QDGHFPKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.46
• 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：
  0.24
• 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：

  5-(4-氯苯基)呋喃-2,3-二酮 、 1-carbamoylmethylidene-3,3-dimethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 以 甲苯 为溶剂， 反应 2.0h， 以86%的产率得到(3E,5Z)-5-[2-(4-chlorophenyl)-2-oxoethylidene]-3-[6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]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