1,1-二苯基-1-羟基-5-哌啶-2-戊酮 | 24860-78-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,1-二苯基-1-羟基-5-哌啶-2-戊酮
• 英文名称: 1-hydroxy-1,1-diphenyl-5-piperidin-1-yl-pentan-2-one
• 英文别名: 1-Hydroxy-1,1-diphenyl-5-piperidinopentan-2-on；2-Pentanone, 1,1-diphenyl-1-hydroxy-5-piperidino-；1-hydroxy-1,1-diphenyl-5-piperidin-1-ylpentan-2-one
• CAS: 24860-78-4
• 化学式: C₂₂H₂₇NO₂
• 分子量: 337.462
• InChiKey: VRMXLTBRJQANCL-UHFFFAOYSA-N

物化性质

• 沸点：
  497.9±45.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1-二苯基-1-羟基-5-哌啶-2-戊酮 、 碘甲烷 以 丙酮 为溶剂， 生成 1-(5-Hydroxy-4-oxo-5,5-diphenyl-pentyl)-1-methyl-piperidinium; iodide
  参考文献：
  名称：

  Synthesis and antagonistic activity at muscarinic receptor subtypes of some derivatives of diphenidol

  摘要：

  A series of new derivatives, related to diphenidol and to its 2-carbonyl analogue, were designed as antimuscarinic agents. The synthesized compounds were evaluated both as hydrochlorides and as methiodides by functional tests at guinea-pig heart (M(2)), guinea-pig ileum (M(3)) and rabbit vas deferens (putative M(4)). Two derivatives (3a and 5a) showed an M(3)-selective profile similar to that of the reference compounds, though they resulted less potent.

  DOI：

  10.1016/s0014-827x(03)00100-9
• 作为产物：
  描述：

  δ-piperidinovalerophenone 在 盐酸 、 potassium permanganate 、 叔丁基锂 、 溶剂黄146 作用下， 以 乙醚 、 丙酮 、 正戊烷 为溶剂， 反应 7.5h， 生成 1,1-二苯基-1-羟基-5-哌啶-2-戊酮
  参考文献：
  名称：

  Synthesis and antagonistic activity at muscarinic receptor subtypes of some derivatives of diphenidol

  摘要：

  A series of new derivatives, related to diphenidol and to its 2-carbonyl analogue, were designed as antimuscarinic agents. The synthesized compounds were evaluated both as hydrochlorides and as methiodides by functional tests at guinea-pig heart (M(2)), guinea-pig ileum (M(3)) and rabbit vas deferens (putative M(4)). Two derivatives (3a and 5a) showed an M(3)-selective profile similar to that of the reference compounds, though they resulted less potent.

  DOI：

  10.1016/s0014-827x(03)00100-9

文献信息

• Synthesis and antagonistic activity at muscarinic receptor subtypes of some derivatives of diphenidol
  作者：Lucilla Varoli、Piero Angeli、Michela Buccioni、Silvia Burnelli、Andrea Cavalli、Gabriella Marucci、Maurizio Recanatini

  DOI：10.1016/s0014-827x(03)00100-9

  日期：2003.9

  A series of new derivatives, related to diphenidol and to its 2-carbonyl analogue, were designed as antimuscarinic agents. The synthesized compounds were evaluated both as hydrochlorides and as methiodides by functional tests at guinea-pig heart (M(2)), guinea-pig ileum (M(3)) and rabbit vas deferens (putative M(4)). Two derivatives (3a and 5a) showed an M(3)-selective profile similar to that of the reference compounds, though they resulted less potent.