meso-N,N'-bis(β-hydroxyethyl)-1,2-diphenyl-1,2-ethylenediamine | 81401-20-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: meso-N,N'-bis(β-hydroxyethyl)-1,2-diphenyl-1,2-ethylenediamine
• 英文别名: meso-4,5-diphenyl-3,6-diazaoctane-1,8-diol；2-[[(1R,2S)-2-(2-hydroxyethylamino)-1,2-diphenylethyl]amino]ethanol
• CAS: 81401-20-9
• 化学式: C₁₈H₂₄N₂O₂
• 分子量: 300.401
• InChiKey: VPCWFGUIHDFUPC-HDICACEKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  64.5
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  meso-N,N'-bis(β-hydroxyethyl)-1,2-diphenyl-1,2-ethylenediamine 在 氯化亚砜 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 29.5h， 生成 1-methyl-cis-2,3-diphenyl-1,4-azoniaazabicyclo<2.2.2>octane iodide
  参考文献：
  名称：

  Diazabicycloalkanes with nitrogen atoms in the nodal positions. 7. Synthesis and configuration of 2,3-diphenyl-1,4-diazabicyclo[2.2.2]-octane

  摘要：

  DOI：

  10.1007/bf00513296
• 作为产物：
  描述：

  meso-1,2-diphenyl-1,2-diaminoethane 、 环氧乙烷 以 甲醇 为溶剂， 反应 72.0h， 以84%的产率得到meso-N,N'-bis(β-hydroxyethyl)-1,2-diphenyl-1,2-ethylenediamine
  参考文献：
  名称：

  Diazabicycloalkanes with nitrogen atoms in the nodal positions. 7. Synthesis and configuration of 2,3-diphenyl-1,4-diazabicyclo[2.2.2]-octane

  摘要：

  DOI：

  10.1007/bf00513296

文献信息

• SHISHKIN, G. V.;NAUMENKO, I. I.;ANISIMOVA, I. L.;YUDINA, O. B.;STOROZHENK+, XIMIYA GETEROTSIKL. SOEDIN., 1982, N 1, 95-100
  作者：SHISHKIN, G. V.、NAUMENKO, I. I.、ANISIMOVA, I. L.、YUDINA, O. B.、STOROZHENK+

  DOI：——

  日期：——
• Hydrogen bonding in<i>meso</i>-4,5-diphenyl-3,6-diazaoctane-1,8-diol: the formation of one-dimensional linear chains of edge-fused rings
  作者：Muharrem Dinçer、Namık Özdemir、Sinan Saydam、Özer Bekaroğlu、Orhan Büyükgüngör

  DOI：10.1107/s0108270106001053

  日期：2006.2.15

  The molecule of the title compound, C18H24N2O2, resides on a crystallographic inversion centre. The molecule adopts a transoid conformation with respect to the central C - C single bond and is in the meso form. A polarimetric study of the compound did not show any optical activity, indicating that the compound is a racemic mixture entirely consistent with the centrosymmetric C2/c space group. In the molecule, there is one intramolecular N - H center dot center dot center dot O interaction, resulting in the formation of a five-membered ring. In the crystal structure, intermolecular O - H center dot center dot center dot N and C - H center dot center dot center dot O interactions are also observed. These interactions form an R-2(2)( 9) ring and one-dimensional linear chains of edge-fused rings running parallel to the [010] direction, which stabilize the crystal packing.
• Diazabicycloalkanes with nitrogen atoms in the nodal positions. 7. Synthesis and configuration of 2,3-diphenyl-1,4-diazabicyclo[2.2.2]-octane
  作者：G. V. Shishkin、I. I. Naumenko、I. L. Anisimova、O. B. Yudina、V. G. Storozhenko

  DOI：10.1007/bf00513296

  日期：1982.1