di-tert-butyl 5-methyl-1-phenyl-1H-pyrazole-3,4-dicarboxylate | 1616351-69-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: di-tert-butyl 5-methyl-1-phenyl-1H-pyrazole-3,4-dicarboxylate
• 英文别名: Ditert-butyl 5-methyl-1-phenylpyrazole-3,4-dicarboxylate；ditert-butyl 5-methyl-1-phenylpyrazole-3,4-dicarboxylate
• CAS: 1616351-69-9
• 化学式: C₂₀H₂₆N₂O₄
• 分子量: 358.437
• InChiKey: MHGGHINPJDUNPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  70.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  丁炔二酸二叔丁酯 乙炔二羧酸二叔丁酯 、 1-乙酰基-2-苯基肼 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 sodium acetate 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以56%的产率得到di-tert-butyl 5-methyl-1-phenyl-1H-pyrazole-3,4-dicarboxylate
  参考文献：
  名称：

  Rhodium-Catalyzed Addition–Cyclization of Hydrazines with Alkynes: Pyrazole Synthesis via Unexpected C–N Bond Cleavage

  摘要：

  Rhodium-catalyzed addition-cyclization of hydrazines with alkynes has been achieved to afford highly substituted pyrazoles under mild conditions. The cascade reaction involves two transformations: addition of the C-N bond of hydrazines to alkynes via unexpected C-N bond cleavage and intramolecular dehydration cyclization.

  DOI：

  10.1021/ol501402p

文献信息

• Rhodium-Catalyzed Addition–Cyclization of Hydrazines with Alkynes: Pyrazole Synthesis via Unexpected C–N Bond Cleavage
  作者：Deng Yuan Li、Xiao Feng Mao、Hao Jie Chen、Guo Rong Chen、Pei Nian Liu

  DOI：10.1021/ol501402p

  日期：2014.7.3

  Rhodium-catalyzed addition-cyclization of hydrazines with alkynes has been achieved to afford highly substituted pyrazoles under mild conditions. The cascade reaction involves two transformations: addition of the C-N bond of hydrazines to alkynes via unexpected C-N bond cleavage and intramolecular dehydration cyclization.