tert-butyl 4-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]piperidine-1-carboxylate | 1426921-59-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl 4-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]piperidine-1-carboxylate
• 英文别名: tert-butyl 4-[2-(4-nitropyrazol-1-yl)ethyl]piperidine-1-carboxylate
• CAS: 1426921-59-6
• 化学式: C₁₅H₂₄N₄O₄
• 分子量: 324.38
• InChiKey: PVTCJMZLEJYKCI-UHFFFAOYSA-N

物化性质

• 沸点：
  455.7±15.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  93.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]piperidine-1-carboxylate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 tert-butyl 4-[2-(4-aminopyrazol-1-yl)ethyl]piperidine-1-carboxylate
  参考文献：
  名称：

  A practical, two-step synthesis of 1-alkyl-4-aminopyrazoles

  摘要：

  A novel synthesis of N1 alkyl-substituted pyrazoles with a free amino group at the C4 position is described. Commercially available 4-nitropyrazole was found to readily undergo Mitsunobu reactions with primary and secondary alcohols. Subsequent reduction of the nitro group via hydrogenation affords 1-alkyl-4-aminopyrazoles, which are valuable intermediates in the synthesis of pharmaceutically active compounds. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.02.169
• 作为产物：
  描述：

  4-硝基吡唑 、 N-Boc-4-哌啶乙醇 在 偶氮二甲酸二叔丁酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl 4-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]piperidine-1-carboxylate
  参考文献：
  名称：

  A practical, two-step synthesis of 1-alkyl-4-aminopyrazoles

  摘要：

  A novel synthesis of N1 alkyl-substituted pyrazoles with a free amino group at the C4 position is described. Commercially available 4-nitropyrazole was found to readily undergo Mitsunobu reactions with primary and secondary alcohols. Subsequent reduction of the nitro group via hydrogenation affords 1-alkyl-4-aminopyrazoles, which are valuable intermediates in the synthesis of pharmaceutically active compounds. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.02.169