tert-butyl 4-(4-(benzyloxy)benzyl)piperazine-1-carboxylate | 77278-84-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl 4-(4-(benzyloxy)benzyl)piperazine-1-carboxylate
• 英文别名: 1-(1,1-dimethylethoxycarbonyl)-4-(4-phenylmethoxyphenylmethyl)piperazine；Tert-butyl 4-[(4-phenylmethoxyphenyl)methyl]piperazine-1-carboxylate
• CAS: 77278-84-3
• 化学式: C₂₃H₃₀N₂O₃
• 分子量: 382.503
• InChiKey: NAGREEGFKSYVTJ-UHFFFAOYSA-N

物化性质

• 沸点：
  494.6±45.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(4-(benzyloxy)benzyl)piperazine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 4.0h， 以62%的产率得到1-(4-(benzyloxy)benzyl)piperazine
  参考文献：
  名称：

  Discovery libraries targeting the major enzyme classes: The serine hydrolases

  摘要：

  Two libraries of modestly reactive ureas containing either electron-deficient acyl anilines or acyl pyrazoles were prepared and are reported as screening libraries for candidate serine hydrolase inhibitors. Within each library is a small but powerful subset of compounds that serve as a chemotype fragment screening library capable of subsequent structural diversification. Elaboration of the pyrazole-based ureas provided remarkably potent irreversible inhibitors of fatty acid amide hydrolase (FAAH, apparent Ki=100-200 pM) complementary to those previously disclosed enlisting electron-deficient aniline-based ureas.

  DOI：

  10.1016/j.bmcl.2014.06.063
• 作为产物：
  描述：

  4-苄氧基溴苄 、 N-Boc-哌嗪 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.25h， 以52%的产率得到tert-butyl 4-(4-(benzyloxy)benzyl)piperazine-1-carboxylate
  参考文献：
  名称：

  Discovery libraries targeting the major enzyme classes: The serine hydrolases

  摘要：

  Two libraries of modestly reactive ureas containing either electron-deficient acyl anilines or acyl pyrazoles were prepared and are reported as screening libraries for candidate serine hydrolase inhibitors. Within each library is a small but powerful subset of compounds that serve as a chemotype fragment screening library capable of subsequent structural diversification. Elaboration of the pyrazole-based ureas provided remarkably potent irreversible inhibitors of fatty acid amide hydrolase (FAAH, apparent Ki=100-200 pM) complementary to those previously disclosed enlisting electron-deficient aniline-based ureas.

  DOI：

  10.1016/j.bmcl.2014.06.063

文献信息

• Piperazine-1-carboxylic acid esters possessing antidepressant or
  申请人：ICI Americas Inc.

  公开号：US04247549A1

  公开（公告）日：1981-01-27

  Piperazine-1-carboxylic acid esters which are useful as antidepressants and as analgesics.

  对抗抑郁症和镇痛药物有用的哌嗪-1-羧酸酯。
• US4247549A
  申请人：——

  公开号：US4247549A

  公开（公告）日：1981-01-27
• Discovery libraries targeting the major enzyme classes: The serine hydrolases
  作者：Katerina Otrubova、Venkat Srinivasan、Dale L. Boger

  DOI：10.1016/j.bmcl.2014.06.063

  日期：2014.8

  Two libraries of modestly reactive ureas containing either electron-deficient acyl anilines or acyl pyrazoles were prepared and are reported as screening libraries for candidate serine hydrolase inhibitors. Within each library is a small but powerful subset of compounds that serve as a chemotype fragment screening library capable of subsequent structural diversification. Elaboration of the pyrazole-based ureas provided remarkably potent irreversible inhibitors of fatty acid amide hydrolase (FAAH, apparent Ki=100-200 pM) complementary to those previously disclosed enlisting electron-deficient aniline-based ureas.