tert-butyl 4-(4-methoxy-4-oxobut-2-en-1-ylidene)piperidine-1-carboxylate | 366023-04-3

• 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-(4-methoxy-4-oxobut-2-en-1-ylidene)piperidine-1-carboxylate
• CAS: 366023-04-3
• 化学式: C₁₅H₂₃NO₄
• 分子量: 281.352
• InChiKey: KYNQBHQBECSRON-UHFFFAOYSA-N

物化性质

• 沸点：
  380.7±35.0 °C(Predicted)
• 密度：
  1.132±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  55.84
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(4-methoxy-4-oxobut-2-en-1-ylidene)piperidine-1-carboxylate 在 palladium on activated charcoal sodium hydroxide 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 水 为溶剂， 生成 4-(N-Boc-4-哌啶基)丁酸
  参考文献：
  名称：

  Dibasic Inhibitors of Human Mast Cell Tryptase. Part 3: Identification of a Series of Potent and Selective Inhibitors Containing the Benzamidine Functionality

  摘要：

  A survey of charged groups and linkers for a series of symmetrical and unsymmetrical dibasic inhibitors is described. leading to several classes of potent and selective inhibitors. In particular. the benzamidine functionality was identified as the most potent charged group investigated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00254-2
• 作为产物：
  描述：

  4-溴-2-丁烯酸甲酯 以 甲苯 为溶剂， 生成 tert-butyl 4-(4-methoxy-4-oxobut-2-en-1-ylidene)piperidine-1-carboxylate
  参考文献：
  名称：

  Dibasic Inhibitors of Human Mast Cell Tryptase. Part 3: Identification of a Series of Potent and Selective Inhibitors Containing the Benzamidine Functionality

  摘要：

  A survey of charged groups and linkers for a series of symmetrical and unsymmetrical dibasic inhibitors is described. leading to several classes of potent and selective inhibitors. In particular. the benzamidine functionality was identified as the most potent charged group investigated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00254-2