9-(4-Chlorophenyl)-6,16-dimethyl-12-(4-methylphenyl)-11-phenyl-2,12-diazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,10,13(17),14-heptaene | 1415130-09-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 9-(4-Chlorophenyl)-6,16-dimethyl-12-(4-methylphenyl)-11-phenyl-2,12-diazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,10,13(17),14-heptaene
• 英文别名: 9-(4-chlorophenyl)-6,16-dimethyl-12-(4-methylphenyl)-11-phenyl-2,12-diazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,10,13(17),14-heptaene
• CAS: 1415130-09-4
• 化学式: C₃₆H₂₉ClN₂
• 分子量: 525.093
• InChiKey: KDYQVDBCPGXKKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  39
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  17
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-methyl-N-(4-methyl-2-(phenylethynyl)phenyl)benzenesulfonamide 在 三氟甲磺酸 、 碘苯二乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 1.17h， 生成 9-(4-Chlorophenyl)-6,16-dimethyl-12-(4-methylphenyl)-11-phenyl-2,12-diazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,10,13(17),14-heptaene
  参考文献：
  名称：

  1,2- and 1,4-Additions of 2-Alkynylcyclohexadienimines with Aromatic Amines To Access 4-Amino-N-arylindoles and -azepinoindoles

  摘要：

  2-Alkynylcyclohexadienimines, derived from the oxidation of 2-alkynylanilines, react with aromatic amines leading to N-arylindoles with a 4-amino substitution. The reaction was metal-controlled, and Bi(OTf)(3) proved to be the best catalyst. The resulting 4-amino N-arylindoles could be converted to azepino[4,3,2-cd]indoles through condensation with aldehydes.

  DOI：

  10.1021/ol3029675

文献信息

• 1,2- and 1,4-Additions of 2-Alkynylcyclohexadienimines with Aromatic Amines To Access 4-Amino-<i>N</i>-arylindoles and -azepinoindoles
  作者：Li Zhang、Zhiming Li、Renhua Fan

  DOI：10.1021/ol3029675

  日期：2012.12.7

  2-Alkynylcyclohexadienimines, derived from the oxidation of 2-alkynylanilines, react with aromatic amines leading to N-arylindoles with a 4-amino substitution. The reaction was metal-controlled, and Bi(OTf)(3) proved to be the best catalyst. The resulting 4-amino N-arylindoles could be converted to azepino[4,3,2-cd]indoles through condensation with aldehydes.