(3-(cyclohexanecarbonyl)-5-cyclohexyl-4-p-tolyl-1H-pyrrol-2-yl)(p-tolyl)methanone | 1277165-92-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3-(cyclohexanecarbonyl)-5-cyclohexyl-4-p-tolyl-1H-pyrrol-2-yl)(p-tolyl)methanone
• 英文别名: cyclohexyl-[5-cyclohexyl-2-(4-methylbenzoyl)-4-(4-methylphenyl)-1H-pyrrol-3-yl]methanone
• CAS: 1277165-92-0
• 化学式: C₃₂H₃₇NO₂
• 分子量: 467.651
• InChiKey: KZDUZNKRDIEMMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  49.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3-(cyclohexanecarbonyl)-5-cyclohexyl-4-p-tolyl-1H-pyrrol-2-yl)(p-tolyl)methanone 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以83%的产率得到2,4-dicyclohexyl-3,7-di-p-tolyl-1H-pyrrolo[3,2-d]pyridazine
  参考文献：
  名称：

  One-Pot Synthesis of Pyrrolo[3,2-d]pyridazines and Pyrrole-2,3-diones via Zirconocene-Mediated Four-Component Coupling of Si-Tethered Diyne, Nitriles, and Azide

  摘要：

  A one-pot synthesis of pyrrolo[3,2-d]pyridazine derivatives via zirconocene-mediated four-component coupling of one Si-tethered diyne, two nitriles, and one azide is reported. When TMSN3 was used, pyrrole-2,3-diones were formed in good yields. Further condensation of these highly functionalized pyrrole-2,3-diones with hydrazine and hydroxylamine afforded useful pyrrole-fused heterocycles.

  DOI：

  10.1021/ol200038n
• 作为产物：
  描述：

  环己甲腈 在 正丁基锂 、 二氯二茂锆 、 silica gel 、 三乙胺 作用下， 以 乙酸乙酯 、 甲苯 、 Petroleum ether 为溶剂， 反应 2.0h， 生成 (3-(cyclohexanecarbonyl)-5-cyclohexyl-4-p-tolyl-1H-pyrrol-2-yl)(p-tolyl)methanone
  参考文献：
  名称：

  One-Pot Synthesis of Pyrrolo[3,2-d]pyridazines and Pyrrole-2,3-diones via Zirconocene-Mediated Four-Component Coupling of Si-Tethered Diyne, Nitriles, and Azide

  摘要：

  A one-pot synthesis of pyrrolo[3,2-d]pyridazine derivatives via zirconocene-mediated four-component coupling of one Si-tethered diyne, two nitriles, and one azide is reported. When TMSN3 was used, pyrrole-2,3-diones were formed in good yields. Further condensation of these highly functionalized pyrrole-2,3-diones with hydrazine and hydroxylamine afforded useful pyrrole-fused heterocycles.

  DOI：

  10.1021/ol200038n

文献信息

• One-Pot Synthesis of Pyrrolo[3,2-<i>d</i>]pyridazines and Pyrrole-2,3-diones via Zirconocene-Mediated Four-Component Coupling of Si-Tethered Diyne, Nitriles, and Azide
  作者：Shaoguang Zhang、Jing Zhao、Wen-Xiong Zhang、Zhenfeng Xi

  DOI：10.1021/ol200038n

  日期：2011.4.1

  A one-pot synthesis of pyrrolo[3,2-d]pyridazine derivatives via zirconocene-mediated four-component coupling of one Si-tethered diyne, two nitriles, and one azide is reported. When TMSN3 was used, pyrrole-2,3-diones were formed in good yields. Further condensation of these highly functionalized pyrrole-2,3-diones with hydrazine and hydroxylamine afforded useful pyrrole-fused heterocycles.