3-methyl-1,5,3-dioxazepane | 86967-43-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-methyl-1,5,3-dioxazepane
• CAS: 86967-43-3
• 化学式: C₅H₁₁NO₂
• 分子量: 117.148
• InChiKey: WMCJHXXHWXHZSZ-UHFFFAOYSA-N

物化性质

• 沸点：
  155.7±30.0 °C(Predicted)
• 密度：
  0.998±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  3-methyl-1,5,3-dioxazepane 、 phenylmagnesium bromide 以55%的产率得到甲基二苄胺
  参考文献：
  名称：

  Nouvelle methode de preparation d'amines tertiaires

  摘要：

  DOI：

  10.1016/s0040-4039(00)81719-0
• 作为产物：
  描述：

  聚合甲醛 、 乙二醇 、 甲胺 以 水 、 苯 为溶剂， 反应 66.5h， 生成 3-methyl-1,5,3-dioxazepane
  参考文献：
  名称：

  An efficient synthesis of 3-alkyl-1,5,3-dioxazepanes and their use as electrophiles in double-Mannich reactions

  摘要：

  An efficient synthesis of 3-alkyl 1,5,3-dioxazepanes was developed for subsequent use in double-Mannich reactions with a variety of carbon-based nucleophiles. It was found that addition of methyltrichlorosilane to the dioxazepane led to a long-lasting reactive species that reacted rapidly with acid-sensitive ketones and beta-ketoesters to afford azabicyclo[3.3.1]nonanes in good yield. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.11.090

文献信息

• KAPNANG, H.;CHARLES, G., TETRAHEDRON LETT., 1983, 24, N 15, 1597-1600
  作者：KAPNANG, H.、CHARLES, G.

  DOI：——

  日期：——
• An efficient synthesis of 3-alkyl-1,5,3-dioxazepanes and their use as electrophiles in double-Mannich reactions
  作者：Kevin Sparrow、David Barker、Margaret A. Brimble

  DOI：10.1016/j.tet.2011.11.090

  日期：2012.1

  An efficient synthesis of 3-alkyl 1,5,3-dioxazepanes was developed for subsequent use in double-Mannich reactions with a variety of carbon-based nucleophiles. It was found that addition of methyltrichlorosilane to the dioxazepane led to a long-lasting reactive species that reacted rapidly with acid-sensitive ketones and beta-ketoesters to afford azabicyclo[3.3.1]nonanes in good yield. (C) 2011 Elsevier Ltd. All rights reserved.
• Nouvelle methode de preparation d'amines tertiaires
  作者：H. Kapnang、G. Charles

  DOI：10.1016/s0040-4039(00)81719-0

  日期：——