3-(吡啶-4-基)-1-二乙氨基丙烷 | 106274-34-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-(吡啶-4-基)-1-二乙氨基丙烷
• 英文名称: 3-(4-pyridyl)-1-diethylamino propane
• 英文别名: 3-(pyridin-4-yl)-1-diethylamino propane；4-(3-Diethylaminopropyl)pyridine；N,N-diethyl-3-pyridin-4-ylpropan-1-amine
• CAS: 106274-34-4
• 化学式: C₁₂H₂₀N₂
• 分子量: 192.304
• InChiKey: IQSRRCUWUKYGHX-UHFFFAOYSA-N

物化性质

• 沸点：
  285.7±23.0 °C(Predicted)
• 密度：
  0.936±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  16.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(吡啶-4-基)-1-二乙氨基丙烷 在 platinum(IV) oxide 盐酸 、 氢气 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 Diethyl[3-(piperidin-4-yl)propyl]amine
  参考文献：
  名称：

  Molecular modulation of muscarinic antagonists. Synthesis and affinity profile of 2,2-diphenyl-2-ethylthio-acetic acid esters designed to probe the binding site cavity

  摘要：

  The synthesis and preliminary pharmacological profile of a new series of muscarinic antagonists, derived from previously studied 2,2-diphenyl-2-ethylthio-acetic acid esters, are reported. The parent molecules were decorated with linkers of different length, carrying an amino group to catch a putative anionic function outside the recognition site of the receptor. It was hoped that the interception of this function would give molecules with higher potency and selectivity. The attempt has not been successful, but a new series of compounds with a peculiar pharmacological profile has been identified.

  DOI：

  10.1016/j.farmac.2004.08.003
• 作为产物：
  描述：

  二乙氨基乙醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 六甲基磷酰三胺 、 氯化亚砜 、 lithium diisopropyl amide 作用下， 反应 15.5h， 生成 3-(吡啶-4-基)-1-二乙氨基丙烷
  参考文献：
  名称：

  Cohen, Victor I.; Jin, Biyun; Reba, Richard C., Liebigs Annalen der Chemie, 1993, # 7, p. 809 - 810

  摘要：

  DOI：

文献信息

• Pyridyl-tetrahydropyrans and process for preparing same
  申请人：Imperial Chemical Industries Limited

  公开号：US04048180A1

  公开（公告）日：1977-09-13

  The present invention deals with intermediate compounds, namely 4-(2'-, 3'- and 4'-pyridyl)-tetrahydropyrans and a process for their preparation. These compounds are prepared by reacting a 2'-haloethyl-3-(pyridyl)propyl ether with an alkali metal amide at -80.degree. C. to 40.degree. C.

  本发明涉及中间化合物，即4-(2'-、3'-和4'-吡啶基)-四氢吡喃及其制备方法。这些化合物是通过将2'-卤乙基-3-(吡啶基)丙基醚与碱金属酰胺在-80摄氏度至40摄氏度下反应而制备的。
• Cohen, Victor I.; Jin, Biyun; Reba, Richard C., Liebigs Annalen der Chemie, 1993, # 7, p. 809 - 810
  作者：Cohen, Victor I.、Jin, Biyun、Reba, Richard C.

  DOI：——

  日期：——
• Molecular modulation of muscarinic antagonists. Synthesis and affinity profile of 2,2-diphenyl-2-ethylthio-acetic acid esters designed to probe the binding site cavity
  作者：Serena Scapecchi、Elisabetta Martini、Cristina Bellucci、Michela Buccioni、Silvia Dei、Luca Guandalini、Dina Manetti、Cecilia Martelli、Gabriella Marucci、Rosanna Matucci

  DOI：10.1016/j.farmac.2004.08.003

  日期：2004.12

  The synthesis and preliminary pharmacological profile of a new series of muscarinic antagonists, derived from previously studied 2,2-diphenyl-2-ethylthio-acetic acid esters, are reported. The parent molecules were decorated with linkers of different length, carrying an amino group to catch a putative anionic function outside the recognition site of the receptor. It was hoped that the interception of this function would give molecules with higher potency and selectivity. The attempt has not been successful, but a new series of compounds with a peculiar pharmacological profile has been identified.