2-(3-苯基-1-哌啶基)乙胺 | 862718-71-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 2-(3-苯基-1-哌啶基)乙胺
• 英文名称: 2-(3-phenylpiperidin-1-yl)ethylamine
• 英文别名: 2-(3-Phenylpiperidin-1-yl)ethanamine
• CAS: 862718-71-6
• 化学式: C₁₃H₂₀N₂
• mdl: MFCD08059770
• 分子量: 204.315
• InChiKey: LDLWTHMIKGPNCU-UHFFFAOYSA-N

物化性质

• 沸点：
  323.4±30.0 °C(Predicted)
• 密度：
  1.006±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-(3-苯基-1-哌啶基)乙胺 、 2-氯苯并恶唑 在 tris(dibenzylideneacetone)dipalladium (0) R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 作用下， 以 四氢呋喃 为溶剂， 生成 N-(benzoxazol-2-yl)[2-(3-phenylpiperidin-1-yl)ethyl]amine
  参考文献：
  名称：

  Synthesis and evaluation of 3-aryl piperidine analogs as potent and efficacious dopamine D4 receptor agonists

  摘要：

  A series of 3-aryl piperidine analogs with 2-piperidinoalkylamino or 2-piperidinoalkyloxy fused bicyclic rings were prepared and found to be potent and efficacious human dopamine D-4 agonists. The synthesis and structure-activity relationship (SAR) studies that led to the identification of these compounds are discussed. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.060
• 作为产物：
  描述：

  2-(2-(3-苯基哌啶-1-基)乙基)异吲哚啉-1,3-二酮 在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以68%的产率得到2-(3-苯基-1-哌啶基)乙胺
  参考文献：
  名称：

  Synthesis and evaluation of 3-aryl piperidine analogs as potent and efficacious dopamine D4 receptor agonists

  摘要：

  A series of 3-aryl piperidine analogs with 2-piperidinoalkylamino or 2-piperidinoalkyloxy fused bicyclic rings were prepared and found to be potent and efficacious human dopamine D-4 agonists. The synthesis and structure-activity relationship (SAR) studies that led to the identification of these compounds are discussed. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.060

文献信息

• Synthesis and evaluation of 3-aryl piperidine analogs as potent and efficacious dopamine D4 receptor agonists
  作者：Xueqing Wang、Pramila A. Bhatia、Jerome F. Daanen、Steve P. Latsaw、Jeffrey Rohde、Teodozyi Kolasa、Ahmed A. Hakeem、Mark A. Matulenko、Masaki Nakane、Marie E. Uchic、Loan N. Miller、Renjie Chang、Robert B. Moreland、Jorge D. Brioni、Andrew O. Stewart

  DOI：10.1016/j.bmc.2005.04.060

  日期：2005.8

  A series of 3-aryl piperidine analogs with 2-piperidinoalkylamino or 2-piperidinoalkyloxy fused bicyclic rings were prepared and found to be potent and efficacious human dopamine D-4 agonists. The synthesis and structure-activity relationship (SAR) studies that led to the identification of these compounds are discussed. (c) 2005 Elsevier Ltd. All rights reserved.