N,N'-13,13'-(ethylenedioxy)-bis(ethyl(N,N'-bis(2,3-dihydro-1H-naphthyl[1,2-e][1,3]oxazine))) | 262611-92-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: N,N'-13,13'-(ethylenedioxy)-bis(ethyl(N,N'-bis(2,3-dihydro-1H-naphthyl[1,2-e][1,3]oxazine)))
• 英文别名: 2-[2-[2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethoxy]ethyl]-1,3-dihydrobenzo[f][1,3]benzoxazine
• CAS: 262611-92-7
• 化学式: C₃₀H₃₂N₂O₄
• 分子量: 484.595
• InChiKey: OZNOQVYARZCSQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.03
• 重原子数：
  36.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  43.4
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N,N'-13,13'-(ethylenedioxy)-bis(ethyl(N,N'-bis(2,3-dihydro-1H-naphthyl[1,2-e][1,3]oxazine))) 以 甲醇 、 苯 为溶剂， 反应 12.0h， 生成 N,N'-(21,21'-ethylenedioxy)-bis(ethylene(N,N'-(1-phenylnaphthyl)[2,1-c:1,2-h]-10-aza)-1-borabicyclodecane)
  参考文献：
  名称：

  Synthesis of dioxazaborocines from N,N′-alkylbridged-bis(bis(2-hydroxybenzyl)aminomethyl)amines

  摘要：

  The aminoalkylation of 2H-1,3-naphthoxazines by phenols has been used to prepare some tripodal amines. A series of these ligands were coordinated to boron, giving dioxazaborocines. The X-ray crystal structures of two dioxazaborocines are reported. These compounds are capable of releasing berate ions in vivo and are therefore potentially biologically active. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00627-0
• 作为产物：
  描述：

  聚合甲醛 、 1,8-二氨基-3,6-二氧杂辛烷 、 2-萘酚 以 甲醇 、 水 为溶剂， 以56%的产率得到N,N'-13,13'-(ethylenedioxy)-bis(ethyl(N,N'-bis(2,3-dihydro-1H-naphthyl[1,2-e][1,3]oxazine)))
  参考文献：
  名称：

  Synthesis of dioxazaborocines from N,N′-alkylbridged-bis(bis(2-hydroxybenzyl)aminomethyl)amines

  摘要：

  The aminoalkylation of 2H-1,3-naphthoxazines by phenols has been used to prepare some tripodal amines. A series of these ligands were coordinated to boron, giving dioxazaborocines. The X-ray crystal structures of two dioxazaborocines are reported. These compounds are capable of releasing berate ions in vivo and are therefore potentially biologically active. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00627-0