6,16-Dimethyl-12-(4-methylphenyl)-9,11-diphenyl-2,12-diazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,10,13(17),14-heptaene | 1415130-15-2

• 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: 6,16-Dimethyl-12-(4-methylphenyl)-9,11-diphenyl-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: 6,16-dimethyl-12-(4-methylphenyl)-9,11-diphenyl-2,12-diazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,10,13(17),14-heptaene
• CAS: 1415130-15-2
• 化学式: C₃₆H₃₀N₂
• 分子量: 490.648
• InChiKey: JYVAWBRKZGKSGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  38
• 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：

  N-(4-methoxy-4-methyl-2-(phenylethynyl)cyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide 在 三氟甲磺酸 、 palladium dichloride 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 1.0h， 生成 6,16-Dimethyl-12-(4-methylphenyl)-9,11-diphenyl-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.