dimethyl-[2-(naphthalen-2-yloxymethyl)-2-phenyl[1,3]dioxolan-4-ylmethyl]amine | 212852-84-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: dimethyl-[2-(naphthalen-2-yloxymethyl)-2-phenyl[1,3]dioxolan-4-ylmethyl]amine
• CAS: 212852-84-1
• 化学式: C₂₃H₂₅NO₃
• 分子量: 363.456
• InChiKey: QIJQTSJPXQJWIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  30.93
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  dimethyl-[2-(naphthalen-2-yloxymethyl)-2-phenyl[1,3]dioxolan-4-ylmethyl]amine 、 碘甲烷 以 乙醚 为溶剂， 反应 12.0h， 生成 Trimethyl-[(2S,4R)-2-(naphthalen-2-yloxymethyl)-2-phenyl-[1,3]dioxolan-4-ylmethyl]-ammonium; iodide 、 Trimethyl-[(2S,4S)-2-(naphthalen-2-yloxymethyl)-2-phenyl-[1,3]dioxolan-4-ylmethyl]-ammonium; iodide
  参考文献：
  名称：

  Synthesis and antimuscarinic activity of some ether- and thioether-bearing 1,3-dioxolanes and related sulfoxides and sulfones

  摘要：

  A series of 1,3-dioxolane-based ligands, bearing ether, thioether and related sulfoxide and sulfone functionalities, were synthesised and tested as potential muscarinic antagonists. The compounds display moderate to low affinity for the three receptor subtypes M-1-M-3, With some Of them showing a significant selectivity for the M-1-M-3 over the M-2 subtype. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00042-x
• 作为产物：
  描述：

  2-(萘-2-基氧基)-1-苯基乙酮 在 三氟甲磺酸 、 4 Angstroem MS 作用下， 以 乙腈 为溶剂， 反应 36.0h， 生成 dimethyl-[2-(naphthalen-2-yloxymethyl)-2-phenyl[1,3]dioxolan-4-ylmethyl]amine
  参考文献：
  名称：

  Synthesis and antimuscarinic activity of some ether- and thioether-bearing 1,3-dioxolanes and related sulfoxides and sulfones

  摘要：

  A series of 1,3-dioxolane-based ligands, bearing ether, thioether and related sulfoxide and sulfone functionalities, were synthesised and tested as potential muscarinic antagonists. The compounds display moderate to low affinity for the three receptor subtypes M-1-M-3, With some Of them showing a significant selectivity for the M-1-M-3 over the M-2 subtype. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00042-x