N1,N2-bis(4-(benzyloxy)-2,6-dimethylphenyl)ethane-1,2-diamine | 1497308-66-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N1,N2-bis(4-(benzyloxy)-2,6-dimethylphenyl)ethane-1,2-diamine
• CAS: 1497308-66-3
• 化学式: C₃₂H₃₆N₂O₂
• 分子量: 480.65
• InChiKey: IBXQTFWIZUQMQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  36.0
• 可旋转键数：
  11.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42.52
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N1,N2-bis(4-(benzyloxy)-2,6-dimethylphenyl)ethane-1,2-diamine 、 alkaline earth salt of/the/ methylsulfuric acid 在 甲酸 、 ammonium tetrafluoroborate 作用下， 反应 3.0h， 以64%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of ruthenium(II) complexes with dendritic N-heterocyclic carbene ligands

  摘要：

  Ru(II) complexes with a N-heterocyclic carbene ligand bearing flexible zeroth-, first-, or second-generation dendritic moieties were synthesized and characterized. The structure of the ruthenium complex with the zeroth-generation dendritic moieties was determined by X-ray crystallography. ONIOM calculations showed that the second generation dendritic moieties surrounded the ruthenium core. These complexes worked as active catalysts for the ring-closing metathesis at 25 degrees C. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.05.026
• 作为产物：
  描述：

  4-溴-3,5-二甲酚 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 、 potassium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 24.0h， 生成 N1,N2-bis(4-(benzyloxy)-2,6-dimethylphenyl)ethane-1,2-diamine
  参考文献：
  名称：

  Synthesis and characterization of ruthenium(II) complexes with dendritic N-heterocyclic carbene ligands

  摘要：

  Ru(II) complexes with a N-heterocyclic carbene ligand bearing flexible zeroth-, first-, or second-generation dendritic moieties were synthesized and characterized. The structure of the ruthenium complex with the zeroth-generation dendritic moieties was determined by X-ray crystallography. ONIOM calculations showed that the second generation dendritic moieties surrounded the ruthenium core. These complexes worked as active catalysts for the ring-closing metathesis at 25 degrees C. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.05.026