N-[1-(4-bromophenyl)-2-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)ethyl]aniline | 1377181-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢异喹啉
• 英文名称: N-[1-(4-bromophenyl)-2-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)ethyl]aniline
• 英文别名: N-[1-(4-bromophenyl)-2-(6,7-dimethoxy-3,3-di-methyl-3,4-dihydroisoquinolin-1-yl)ethyl]aniline；N-[1-(4-bromophenyl)-2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]aniline
• CAS: 1377181-67-3
• 化学式: C₂₇H₂₉BrN₂O₂
• 分子量: 493.443
• InChiKey: AEIVBBRWTKJAIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  42.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[1-(4-bromophenyl)-2-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)ethyl]aniline 、 苦味酸 以 乙醚 为溶剂， 生成
  参考文献：
  名称：

  Spirocyclohexadienones: XIII. Reactions of schiff bases with enamines derived from 3,4-dihydroisoquinoline and with spiro[naphthalene-1,3′-pyrrol]-4-one

  摘要：

  Addition of 1,3,3-trimethyl-3,4-dihydroisoquinolines to N-benzylideneanilines gives substituted N-[2-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-1-phenylethyl]anilines, whereas 2',5',5'-trimethyl-4',5'-dihydro-4H-spiro[naphthalene-1,3'-pyrrol]-4-one reacts with N-benzylideneanilines along two pathways involving cyclization to substituted 2,3,3a,4,10,11-hexahydrobenzo[f]pyrrolo[2,3-d]quinolin-5(1H)-ones or elimination of the aniline residue with formation of substituted 5',5'-trimethyl-2-styryl-4',5'-dihydro-4H-spiro[naphthalene-1,3'-pyrrol]-4-ones.

  DOI：

  10.1134/s1070428012040197
• 作为产物：
  描述：

  1,3,3-trimethyl-6,7-dimethoxy-3,4-dihydroisoquinoline 、 N-(4-bromobenzylidene)aniline 在 溶剂黄146 作用下， 反应 24.0h， 以12%的产率得到N-[1-(4-bromophenyl)-2-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)ethyl]aniline
  参考文献：
  名称：

  Spirocyclohexadienones: XIII. Reactions of schiff bases with enamines derived from 3,4-dihydroisoquinoline and with spiro[naphthalene-1,3′-pyrrol]-4-one

  摘要：

  Addition of 1,3,3-trimethyl-3,4-dihydroisoquinolines to N-benzylideneanilines gives substituted N-[2-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-1-phenylethyl]anilines, whereas 2',5',5'-trimethyl-4',5'-dihydro-4H-spiro[naphthalene-1,3'-pyrrol]-4-one reacts with N-benzylideneanilines along two pathways involving cyclization to substituted 2,3,3a,4,10,11-hexahydrobenzo[f]pyrrolo[2,3-d]quinolin-5(1H)-ones or elimination of the aniline residue with formation of substituted 5',5'-trimethyl-2-styryl-4',5'-dihydro-4H-spiro[naphthalene-1,3'-pyrrol]-4-ones.

  DOI：

  10.1134/s1070428012040197