6',6'-dimethyl-1'-phenyl-3-[(Z)-phenyl(phenylamino)methylidene]-6',7'-dihydro-3H-spiro[furan-2,3'-indole]-2',4,4',5(1'H,5'H)-tetraone | 1180846-47-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 6',6'-dimethyl-1'-phenyl-3-[(Z)-phenyl(phenylamino)methylidene]-6',7'-dihydro-3H-spiro[furan-2,3'-indole]-2',4,4',5(1'H,5'H)-tetraone
• 英文别名: 6',6'-Dimethyl-1'-phenyl-3-[(z)-phenyl(phenyl-amino)methylidene]-6',7'-dihydro-3h-spiro[furan-2,3'-indole]-2',4,4',5(1'h,5'h)-tetraone；(4'Z)-4'-[anilino(phenyl)methylidene]-6,6-dimethyl-1-phenylspiro[5,7-dihydroindole-3,5'-oxolane]-2,2',3',4-tetrone
• CAS: 1180846-47-2
• 化学式: C₃₂H₂₆N₂O₅
• 分子量: 518.569
• InChiKey: XDYUEJMALXXMGM-CYYJNZCTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  92.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-苯胺基-5,5-二甲基环己-2-烯-1-酮 、 4-isopropoxalyl-1,5-diphenyl-2,3-dihydro-2,3-pyrroledione 以 氯仿 为溶剂， 反应 8.0h， 以71%的产率得到6',6'-dimethyl-1'-phenyl-3-[(Z)-phenyl(phenylamino)methylidene]-6',7'-dihydro-3H-spiro[furan-2,3'-indole]-2',4,4',5(1'H,5'H)-tetraone
  参考文献：
  名称：

  Five-membered 2,3-dioxo heterocycles: LXIII. Cascade recyclization of isopropyl 2-(1-aryl-4,5-dioxo-2-phenyl-4,5-dihydro-1H-pyrrol-3-yl)-2-oxoacetates with cyclic enamines. Crystalline and molecular structure of 1′-benzyl-6′,6′-dimethyl-3-[(Z)-phenyl(phenylamino)methylidene]-6′,7′-dihydro-3H-spiro[furan-2,3′-indole]-2′,4,4′,5(1′H,5′H)-tetraone

  摘要：

  Isopropyl 2-(1-aryl-4,5-dioxo-2-phenyl-4,5-dihydro-1H-pyrrol-3-yl)-2-oxoacetates reacted with N-substituted 3-amino-5,5-dimethylcyclohex-2-en-1-ones to give the corresponding 1'-substituted (Z)-6',6'-dimethyl-3-[phenyl(arylamino)methylidene]-6',7'-dihydro-3H-spiro[furan-2,3'-indole]-2',4,4',5(1'H,5'H)-tetraones. The structure of 1'-benzyl-6',6'-dimethyl-3-[(Z)-phenyl(phenylamino)methylidene]-6',7'-dihydro-3Hspiro[furan-2,3'-indole]-2',4,4',5(1'H,5'H)-tetraone was proved by X-ray analysis.

  DOI：

  10.1134/s1070428009010163

文献信息

• Five-membered 2,3-dioxo heterocycles: LXIII. Cascade recyclization of isopropyl 2-(1-aryl-4,5-dioxo-2-phenyl-4,5-dihydro-1H-pyrrol-3-yl)-2-oxoacetates with cyclic enamines. Crystalline and molecular structure of 1′-benzyl-6′,6′-dimethyl-3-[(Z)-phenyl(phenylamino)methylidene]-6′,7′-dihydro-3H-spiro[furan-2,3′-indole]-2′,4,4′,5(1′H,5′H)-tetraone
  作者：P. S. Silaichev、Z. G. Aliev、A. N. Maslivets

  DOI：10.1134/s1070428009010163

  日期：2009.1

  Isopropyl 2-(1-aryl-4,5-dioxo-2-phenyl-4,5-dihydro-1H-pyrrol-3-yl)-2-oxoacetates reacted with N-substituted 3-amino-5,5-dimethylcyclohex-2-en-1-ones to give the corresponding 1'-substituted (Z)-6',6'-dimethyl-3-[phenyl(arylamino)methylidene]-6',7'-dihydro-3H-spiro[furan-2,3'-indole]-2',4,4',5(1'H,5'H)-tetraones. The structure of 1'-benzyl-6',6'-dimethyl-3-[(Z)-phenyl(phenylamino)methylidene]-6',7'-dihydro-3Hspiro[furan-2,3'-indole]-2',4,4',5(1'H,5'H)-tetraone was proved by X-ray analysis.