N-butyl-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-amine | 252654-47-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-butyl-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-amine
• CAS: 252654-47-0
• 化学式: C₁₆H₃₁NO₄
• 分子量: 301.426
• InChiKey: AQSZITXFNWQIGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-butyl-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-amine 在 三氟乙酸 作用下， 以 水 为溶剂， 生成 2-[Butyl(1,3-dihydroxypropan-2-yl)amino]propane-1,3-diol
  参考文献：
  名称：

  Synthesis of bis(1,3-dihydroxy-isopropyl)amine by reductive amination of dihydroxyacetone: Open chain equivalent of DMDP and a potential AB4 dendritic monomer

  摘要：

  Reductive amination of dihydroxyacetone by ammonium salts with sodium cyanoborohydride gives bis(1,3-dihydroxy-isopropyl)amine [BDI] in good yield and high purity. BDI and its diacetonide are hindered nucleophiles but may be further reductively alkylated to form N-alkyl derivatives. BDI is an open chain equivalent of DMDP [2,5-dideoxy-2,5-imino-D-mannitol] but neither BDI nor its N-alkyl derivatives show inhibition of any glycosidase or transferase assayed. BDI may provide an example of an AB, dendritic monomer, (C) 1999 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0040-4039(99)01611-1
• 作为产物：
  描述：

  2,2′-iminobis-1,3-propanediol 在 硫酸 、 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 4.0h， 生成 N-butyl-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-amine
  参考文献：
  名称：

  Synthesis of bis(1,3-dihydroxy-isopropyl)amine by reductive amination of dihydroxyacetone: Open chain equivalent of DMDP and a potential AB4 dendritic monomer

  摘要：

  Reductive amination of dihydroxyacetone by ammonium salts with sodium cyanoborohydride gives bis(1,3-dihydroxy-isopropyl)amine [BDI] in good yield and high purity. BDI and its diacetonide are hindered nucleophiles but may be further reductively alkylated to form N-alkyl derivatives. BDI is an open chain equivalent of DMDP [2,5-dideoxy-2,5-imino-D-mannitol] but neither BDI nor its N-alkyl derivatives show inhibition of any glycosidase or transferase assayed. BDI may provide an example of an AB, dendritic monomer, (C) 1999 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0040-4039(99)01611-1