ethyl 5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrrole-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: ethyl 5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrrole-2-carboxylate
• 英文别名: ethyl 5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole-2-carboxylate
• 化学式: C₁₄H₁₆F₇NO₂
• 分子量: 363.275
• InChiKey: RWPLMTIOKIJYMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  42.1
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2,2-二甲基-6,6,7,7,8,8,8-七氟-3,5-辛二酮 、 氰乙酸乙酯 在 dodecacarbonyltetrarhodium(0) 作用下， 以 甲苯 为溶剂， 以70%的产率得到ethyl 5-tert-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)pyrrole-2-carboxylate
  参考文献：
  名称：

  Rhodium Complex-Catalyzed Reaction of Isonitriles with Carbonyl Compounds:  Catalytic Synthesis of Pyrroles

  摘要：

  [GRAPHICS]Low-valent rhodium complexes are efficient catalysts for the activation of alpha -C-H bond of isonitriles. Addition of isonitriles to carbonyl compounds proceeds under mild and neutral conditions to give the corresponding alpha,beta -unsaturated formamides. Catalytic synthesis of pyrroles can be performed by cyclocondensation of isonitriles with 1,3-dicarbonyl compounds.

  DOI：

  10.1021/ol0069296

文献信息

• Rhodium Complex-Catalyzed Reaction of Isonitriles with Carbonyl Compounds:  Catalytic Synthesis of Pyrroles
  作者：Hikaru Takaya、Sachiko Kojima、Shun-Ichi Murahashi

  DOI：10.1021/ol0069296

  日期：2001.2.1

  [GRAPHICS]Low-valent rhodium complexes are efficient catalysts for the activation of alpha -C-H bond of isonitriles. Addition of isonitriles to carbonyl compounds proceeds under mild and neutral conditions to give the corresponding alpha,beta -unsaturated formamides. Catalytic synthesis of pyrroles can be performed by cyclocondensation of isonitriles with 1,3-dicarbonyl compounds.