3-(2,2-dimethyltetrahydro-2H-pyran-4-ylmethylamino)propanenitrile | 1361319-88-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 3-(2,2-dimethyltetrahydro-2H-pyran-4-ylmethylamino)propanenitrile
• 英文别名: 3-(2,2-Dimethyltetrahydro-2h-pyran-4-yl-methylamino)propanenitrile；3-[(2,2-dimethyloxan-4-yl)-methylamino]propanenitrile
• CAS: 1361319-88-1
• 化学式: C₁₁H₂₀N₂O
• 分子量: 196.293
• InChiKey: RWRJLJSVUXSKAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2,2-dimethyltetrahydro-2H-pyran-4-ylmethylamino)propanenitrile 在 sodium tetrahydroborate 、 lithium aluminium tetrahydride 作用下， 以 甲醇 、 乙醚 、 苯 为溶剂， 反应 6.0h， 生成 N1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N3-(2-fluorobenzyl)-N1-methylpropane-1,3-diamine
  参考文献：
  名称：

  Synthesis and some transformations of N,2,2-trimethyltetrahydro-2H-pyran-4-amine

  摘要：

  Reaction of 2,2-dimethyltetrahydro-2H-pyran-4-one with aqueous methanamine, followed by reduction of the Schiff base thus obtained with sodium tetrahydridoborate gave N,2,2-trimethyltetrahydro-2H-pyran-4-amine which was subjected to cyanoethylation with acrylonitrile. The resulting 3-(2,2-dimethyltetrahydro-2H-pyran-4-ylmethylamino)propanenitrile was reduced with lithium tetrahydridoaluminate to N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-methylpropane-1,3-diamine, and some chemical transformations of the latter were studied.

  DOI：

  10.1134/s1070428012010137
• 作为产物：
  描述：

  N,2,2-三甲基四氢-4H-吡喃-4-亚胺 在 sodium tetrahydroborate 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 72.0h， 生成 3-(2,2-dimethyltetrahydro-2H-pyran-4-ylmethylamino)propanenitrile
  参考文献：
  名称：

  Synthesis and some transformations of N,2,2-trimethyltetrahydro-2H-pyran-4-amine

  摘要：

  Reaction of 2,2-dimethyltetrahydro-2H-pyran-4-one with aqueous methanamine, followed by reduction of the Schiff base thus obtained with sodium tetrahydridoborate gave N,2,2-trimethyltetrahydro-2H-pyran-4-amine which was subjected to cyanoethylation with acrylonitrile. The resulting 3-(2,2-dimethyltetrahydro-2H-pyran-4-ylmethylamino)propanenitrile was reduced with lithium tetrahydridoaluminate to N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-methylpropane-1,3-diamine, and some chemical transformations of the latter were studied.

  DOI：

  10.1134/s1070428012010137