N,N-(bis(2-hydroxy-1-naphthylmethyl)-2-hydroxyethyl)amine | 22555-30-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N,N-(bis(2-hydroxy-1-naphthylmethyl)-2-hydroxyethyl)amine
• 英文别名: 1-[[2-Hydroxyethyl-[(2-hydroxynaphthalen-1-yl)methyl]amino]methyl]naphthalen-2-ol
• CAS: 22555-30-2
• 化学式: C₂₄H₂₃NO₃
• 分子量: 373.452
• InChiKey: OSLWZSBGDXBETL-UHFFFAOYSA-N

物化性质

• 沸点：
  613.8±45.0 °C(Predicted)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  63.9
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  硼酸三甲酯 、 N,N-(bis(2-hydroxy-1-naphthylmethyl)-2-hydroxyethyl)amine 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 trans-N-(2-hydroxyethyl)-1-methoxy-bis(naphthyl)[2,1-c:1,2-h]-10-aza-1-bora-2,18-dioxabicyclooctane 、 cis-N-(2-hydroxyethyl)-1-methoxy-bis(naphthyl)[2,1-c:1,2-h]-10-aza-1-bora-2,18-dioxabicyclooctane
  参考文献：
  名称：

  Synthesis of dioxazaborocines from N-substituted-bis(2-hydroxyaryl)aminomethylamines

  摘要：

  The preparation of a number of tripodal amines from aminoalkylation of 1,3-benzoxazines by phenols is presented. A series of ligands prepared in this manner were successfully coordinated to boron, giving dioxazaborocines. X-ray crystal structures of two analogues are reported. These compounds are capable of releasing berate ions and are therefore potentially biologically active. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00510-0
• 作为产物：
  描述：

  2-萘酚 、 N-hydroxyethyl-2,3-dihydro-1H-naphth[1,2-e][1,3]oxazine 以 甲醇 为溶剂， 以85%的产率得到N,N-(bis(2-hydroxy-1-naphthylmethyl)-2-hydroxyethyl)amine
  参考文献：
  名称：

  Synthesis of dioxazaborocines from N-substituted-bis(2-hydroxyaryl)aminomethylamines

  摘要：

  The preparation of a number of tripodal amines from aminoalkylation of 1,3-benzoxazines by phenols is presented. A series of ligands prepared in this manner were successfully coordinated to boron, giving dioxazaborocines. X-ray crystal structures of two analogues are reported. These compounds are capable of releasing berate ions and are therefore potentially biologically active. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00510-0