2,4-di-sec-butyl-N-(4-fluorobenzyl)-3,7-diphenyl-5H-pyrrolo[2,3-d]pyridazin-5-amine | 1277165-86-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,4-di-sec-butyl-N-(4-fluorobenzyl)-3,7-diphenyl-5H-pyrrolo[2,3-d]pyridazin-5-amine
• 英文别名: 2,4-di-s-butyl-N-(4-fluorobenzyl)-3,7-diphenyl-5h-pyrrolo[2,3-d]pyridazin-5-amine；2,4-di(butan-2-yl)-N-[(4-fluorophenyl)methyl]-3,7-diphenylpyrrolo[2,3-d]pyridazin-5-amine
• CAS: 1277165-86-2
• 化学式: C₃₃H₃₅FN₄
• 分子量: 506.666
• InChiKey: HYPXLNWUIRCKQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  42.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-甲基丁腈 、 双(苯基乙炔基)二甲基硅烷 、 1-(叠氮基甲基)-4-氟苯 在 正丁基锂 、 二氯二茂锆 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以59%的产率得到2,4-di-sec-butyl-N-(4-fluorobenzyl)-3,7-diphenyl-5H-pyrrolo[2,3-d]pyridazin-5-amine
  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.