trans-2-benzhydryl-N,N-dimethyl-1,3-dioxan-5-amine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: trans-2-benzhydryl-N,N-dimethyl-1,3-dioxan-5-amine
• 英文别名: 2-benzhydryl-N,N-dimethyl-1,3-dioxan-5-amine
• 化学式: C₁₉H₂₃NO₂
• 分子量: 297.397
• InChiKey: OEFYAVWODUNGNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  trans-2-benzhydryl-N,N-dimethyl-1,3-dioxan-5-amine 、 碘甲烷 以 乙醚 为溶剂， 以55%的产率得到trans-2-benzhydryl-N,N,N-trimethyl-1,3-dioxan-5-aminium iodide
  参考文献：
  名称：

  Synthesis and Antimuscarinic Activity of Derivatives of 2-Substituted-1,3-Dioxolanes

  摘要：

  Geometric cis, trans isomers, derivatives of 2-subsfituted-1,3-dioxolanes and 2-subsfituted-1,3-dioxanes were designed and studied as antimuscarinic agents. The synthesized compounds were evaluated as perchlorides and methiodides by functional tests with rabbit vas deferens (putative M-1), guinea-pig heart (M-2) and guinea-pig ileum (M-3). The effect of the replacement of a trimethylammonium group with a dimethylsulfonium in the two rings was also evaluated. Pharmacological results indicate that the 1,3-dioxane nucleus shows the highest stereoselective values on the studied receptors.

  DOI：

  10.1007/s00044-005-0139-6
• 作为产物：
  描述：

  联苯乙醛 在 对甲苯磺酸 、 三乙胺 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 316.0h， 生成 trans-2-benzhydryl-N,N-dimethyl-1,3-dioxan-5-amine
  参考文献：
  名称：

  Synthesis and Antimuscarinic Activity of Derivatives of 2-Substituted-1,3-Dioxolanes

  摘要：

  Geometric cis, trans isomers, derivatives of 2-subsfituted-1,3-dioxolanes and 2-subsfituted-1,3-dioxanes were designed and studied as antimuscarinic agents. The synthesized compounds were evaluated as perchlorides and methiodides by functional tests with rabbit vas deferens (putative M-1), guinea-pig heart (M-2) and guinea-pig ileum (M-3). The effect of the replacement of a trimethylammonium group with a dimethylsulfonium in the two rings was also evaluated. Pharmacological results indicate that the 1,3-dioxane nucleus shows the highest stereoselective values on the studied receptors.

  DOI：

  10.1007/s00044-005-0139-6