Diethyl-((S)-2-phenyl-2-piperazin-1-yl-ethyl)-amine | 444895-35-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Diethyl-((S)-2-phenyl-2-piperazin-1-yl-ethyl)-amine
• 英文别名: (2S)-N,N-diethyl-2-phenyl-2-piperazin-1-ylethanamine
• CAS: 444895-35-6
• 化学式: C₁₆H₂₇N₃
• 分子量: 261.41
• InChiKey: IASJNETYKKDQIO-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  18.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Diethyl-((S)-2-phenyl-2-piperazin-1-yl-ethyl)-amine 在 三氟乙酸 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 生成 (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-((S)-2-diethylamino-1-phenyl-ethyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
  参考文献：
  名称：

  Privileged structure based ligands for melanocortin receptors—Substituted benzylic piperazine derivatives

  摘要：

  Replacement of the aryl piperazine moiety in compound I with a variety of substituted benzylic piperazines (6) yields compounds that afford melanocortin receptor 4 (MCR4) activity. Analogs with ortho substitution on the aromatic ring afforded the highest affinity. Resolution of the stereocenter of the benzylic piperazine based privileged structure revealed that the R-enantiomer was more active. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.018
• 作为产物：
  描述：

  Methanesulfonic acid (R)-2-diethylamino-2-phenyl-ethyl ester 、 N-Boc-哌嗪 反应 18.0h， 生成 Diethyl-((S)-2-phenyl-2-piperazin-1-yl-ethyl)-amine
  参考文献：
  名称：

  Privileged structure based ligands for melanocortin receptors—Substituted benzylic piperazine derivatives

  摘要：

  Replacement of the aryl piperazine moiety in compound I with a variety of substituted benzylic piperazines (6) yields compounds that afford melanocortin receptor 4 (MCR4) activity. Analogs with ortho substitution on the aromatic ring afforded the highest affinity. Resolution of the stereocenter of the benzylic piperazine based privileged structure revealed that the R-enantiomer was more active. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.018

文献信息

• US7169777B2
  申请人：——

  公开号：US7169777B2

  公开（公告）日：2007-01-30