9-diethylamino-nonan-1-ol | 92154-34-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 9-diethylamino-nonan-1-ol
• 英文别名: Diaethyl-(9-hydroxy-nonyl)-amin；9-Dimethylamino-nonanol-(1)；9-Diaethylamino-nonan-1-ol；9-(Diethylamino)nonan-1-ol
• CAS: 92154-34-2
• 化学式: C₁₃H₂₉NO
• 分子量: 215.379
• InChiKey: UUYOIRLEWGBCGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  161.5 °C
• 密度：
  1.4574 g/cm3(Temp: 15.5 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  9-diethylamino-nonan-1-ol 在 platinum(IV) oxide 盐酸 、 氯化亚砜 、 氢气 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 氯仿 为溶剂， 20.0 ℃ 、330.95 kPa 条件下， 反应 26.5h， 生成
  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：

  9-氯-1-壬醇 、 二乙胺 生成 9-diethylamino-nonan-1-ol
  参考文献：
  名称：

  Price; Herbrandson, Journal of the American Chemical Society, 1946, vol. 68, p. 914

  摘要：

  DOI：

文献信息

• Coulthard; Levene; Pyman, Biochemical Journal, 1933, vol. 27, p. 736
  作者：Coulthard、Levene、Pyman

  DOI：——

  日期：——
• Altman, Recueil des Travaux Chimiques des Pays-Bas, 1938, vol. 57, p. 951
  作者：Altman

  DOI：——

  日期：——
• TRIARYL-ETHYLENE DERIVATIVES FOR USE IN THERAPY
  申请人：MERRELL PHARMACEUTICALS INC.

  公开号：EP0720597B1

  公开（公告）日：1998-04-29
• Price; Herbrandson, Journal of the American Chemical Society, 1946, vol. 68, p. 914
  作者：Price、Herbrandson

  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.