(S)-1-BOC-3-丙基哌嗪 | 928025-58-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: (S)-1-BOC-3-丙基哌嗪
• 中文别名: (3S)-3-丙基-1-哌嗪甲酸叔丁酯
• 英文名称: (S)-1-Boc-3-propyl-piperazine
• 英文别名: tert-butyl (3S)-3-propylpiperazine-1-carboxylate
• CAS: 928025-58-5
• 化学式: C₁₂H₂₄N₂O₂
• 分子量: 228.335
• InChiKey: UTQYTJHYWCCQIJ-JTQLQIEISA-N

物化性质

• 密度：
  0.972

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (S)-1-BOC-3-丙基哌嗪 、 5-溴-1-(叔丁基二甲基硅基)-1H-吲哚 在 三叔丁基膦 、 palladium diacetate 、 sodium t-butanolate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 生成
  参考文献：
  名称：

  2-Substituted N-aryl piperazines as novel triple reuptake inhibitors for the treatment of depression

  摘要：

  Recently a class of compounds known as triple reuptake inhibitors has emerged as a new strategy for the treatment of depression. These compounds work by simultaneously inhibiting the synaptic reuptake of serotonin, norepinephrine and dopamine. In this Letter we describe the optimization of a novel series of 2-substituted N-aryl piperazine based triple reuptake inhibitors. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.008

文献信息

• Derivative having ppar agonistic activity
  申请人：Itai Akiko

  公开号：US20090286974A1

  公开（公告）日：2009-11-19

  A compound of the formula (I): a pharmaceutically acceptable salt or solvate thereof, wherein Ring Q is optionally substituted monocyclic aryl, optionally substituted monocyclic heteroaryl, optionally substituted fused aryl or optionally substituted fused heteroaryl, Y 1 is a bond or —NR 6 — or the like, Ring A is optionally substituted nonaromatic heterocyclediyl, a group of the formula: -Y 2 Z 1 - is a group of the formula: R 7 are each independently hydrogen, optionally substituted lower alkyl or the like, R 8 and R 9 are each independently hydrogen or optionally substituted lower alkyl, n is an integer between 1 and 3, Z 1 is a bond, —O—, —S— or —NR 9 —, Ring B is optionally substituted aromatic carbocyclediyl or optionally substituted aromatic heterocyclediyl, Y 3 is a bond, optionally substituted lower alkylene optionally intervened by —O—, optionally substituted lower alkenylene or the like, and Z 2 is COOR 3 or the like.

  化合物的公式（I）：其药物可接受的盐或溶剂，其中环Q是可选择的取代的单环芳基，可选择的取代的单环杂芳基，可选择的融合芳基或可选择的融合杂芳基，Y1是键或-NR6-或类似物，环A是可选择的取代的非芳香杂环二基，公式组：-Y2Z1-是公式组：R7各自独立地是氢，可选择的取代的低烷基或类似物，R8和R9各自独立地是氢或可选择的取代的低烷基，n是1到3之间的整数，Z1是键，-O-，-S-或-NR9-，环B是可选择的取代的芳香碳杂环二基或可选择的取代的芳香杂环二基，Y3是键，可选择的取代的低烷基，可选择地介入-O-，可选择的取代的低烯基或类似物，并且Z2是COOR3或类似物。
• US8097610B2
  申请人：——

  公开号：US8097610B2

  公开（公告）日：2012-01-17