tert-butyloxycarbonyl-4-(2-piperidyl)benzylamine | 864934-27-0

• 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-butyloxycarbonyl-4-(2-piperidyl)benzylamine
• 英文别名: tert-butyl N-[(4-piperidin-2-ylphenyl)methyl]carbamate
• CAS: 864934-27-0
• 化学式: C₁₇H₂₆N₂O₂
• 分子量: 290.406
• InChiKey: PHYMDDUZAMFKJV-UHFFFAOYSA-N

物化性质

• 沸点：
  442.9±40.0 °C(Predicted)
• 密度：
  1.045±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyloxycarbonyl-4-(2-piperidyl)benzylamine 在 盐酸 、 TEA 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 2-{4-[(4-Methyl-3-nitro-pyridin-2-ylamino)-methyl]-phenyl}-piperidine-1-carboxylic acid methyl ester
  参考文献：
  名称：

  Bradykinin B1 antagonists: SAR studies in the 2,3-diaminopyridine series

  摘要：

  SAR study of the biphenyl region of 2,3-diaminopyridine bradykinin B-1 antagonists was investigated with non-aromatic carbo- and heterocyclic rings. A piperidine ring was found to be a good replacement for the proximal phenyl ring while replacement of the distal phenyl was optimal with a cyclohexyl group leading to a dramatic improvement in affinity for the B-1 receptor. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.133
• 作为产物：
  描述：

  在 palladium dihydroxide 氢气 作用下， 以 乙醇 为溶剂， 生成 tert-butyloxycarbonyl-4-(2-piperidyl)benzylamine
  参考文献：
  名称：

  Bradykinin B1 antagonists: SAR studies in the 2,3-diaminopyridine series

  摘要：

  SAR study of the biphenyl region of 2,3-diaminopyridine bradykinin B-1 antagonists was investigated with non-aromatic carbo- and heterocyclic rings. A piperidine ring was found to be a good replacement for the proximal phenyl ring while replacement of the distal phenyl was optimal with a cyclohexyl group leading to a dramatic improvement in affinity for the B-1 receptor. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.133

文献信息

• Practical Synthesis of Roscovitine and CR8
  作者：Nassima Oumata、Yoan Ferandin、Laurent Meijer、Hervé Galons

  DOI：10.1021/op800284k

  日期：2009.5.15

  Roscovitine and CR8 are potent inhibitors of cyclin-dependent kinases. A scalable synthesis of both inhibitors is described. In the case of CR8, the biarylmethylamine moiety was obtained as a stable and high-purity salt.