N,N'-bis(2-dimethylaminopropyl)-1,2-diaminobenzene | 950683-97-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-bis(2-dimethylaminopropyl)-1,2-diaminobenzene
• 英文别名: 1-N,2-N-bis[3-(dimethylamino)propyl]benzene-1,2-diamine
• CAS: 950683-97-3
• 化学式: C₁₆H₃₀N₄
• 分子量: 278.441
• InChiKey: AXFKVJBXZUSYJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  30.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-bis(2-dimethylaminopropyl)-1,2-diaminobenzene 、 bis(bis(trimethylsilyl)amido)tin(II) 以 甲苯 为溶剂， 以98%的产率得到N,N'-bis(2-(dimethylamino)propyl)benzimidazolin-2-stannylene
  参考文献：
  名称：

  Benzimidazolin-2-stannylenes with N,N‘-Alkyl (Me and Et) and Lewis Base Functional Groups

  摘要：

  Symmetrically and unsymmetrically N, N '- substituted benzimidazolin- 2- stannylenes with sterically nondemanding alkyl ( Me and Et) and Lewis base functional groups ( -( CH2) n OMe, -( CH2) n NMe2; n) 2, 3) have been synthesized by the transamination reaction between suitably substituted o- phenylenediamines and Sn[ N( SiMe3) 2] 2. The N, N'-dimethyl-substituted stannylene 3 exists in the solid state as a bimolecular aggregate which is held together by strong intermolecular Sn center dot center dot center dot N interactions leading to three- coordinated tin atoms. The benzimidazolin- 2- stannylenes with N, N'-( CH2)nOMe substituents ( 5, n) 2; 6, n) 3) exhibit weak intramolecular Sn,,, O interactions in solution. Benzannulated stannylenes with N, N '-( CH2) n NMe2 substituents ( 7, n) 2; 8, n) 3) are again dimers which exhibit both intramolecular Sn center dot center dot center dot NMe2 and intermolecular Sn,,, N interactions, which leads to tri- or tetracoordinated tin atoms. Some unsymmetrically N, N '- substituted benzimidazolin- 2- stannylenes have also been synthesized. The molecular structures of 3, 5, and 8 and the relation between the chemical shift recorded for the tin atoms and the solvent ( C6D6 or THF- d (8)) used for recording Sn-119 NMR spectra will be discussed.

  DOI：

  10.1021/ic701064z

文献信息

• Benzimidazolin-2-stannylenes with <i>N</i>,<i>N</i>‘-Alkyl (Me and Et) and Lewis Base Functional Groups
  作者：F. Ekkehardt Hahn、Lars Wittenbecher、Duc Le Van、Alexander V. Zabula

  DOI：10.1021/ic701064z

  日期：2007.9.1

  Symmetrically and unsymmetrically N, N '- substituted benzimidazolin- 2- stannylenes with sterically nondemanding alkyl ( Me and Et) and Lewis base functional groups ( -( CH2) n OMe, -( CH2) n NMe2; n) 2, 3) have been synthesized by the transamination reaction between suitably substituted o- phenylenediamines and Sn[ N( SiMe3) 2] 2. The N, N'-dimethyl-substituted stannylene 3 exists in the solid state as a bimolecular aggregate which is held together by strong intermolecular Sn center dot center dot center dot N interactions leading to three- coordinated tin atoms. The benzimidazolin- 2- stannylenes with N, N'-( CH2)nOMe substituents ( 5, n) 2; 6, n) 3) exhibit weak intramolecular Sn,,, O interactions in solution. Benzannulated stannylenes with N, N '-( CH2) n NMe2 substituents ( 7, n) 2; 8, n) 3) are again dimers which exhibit both intramolecular Sn center dot center dot center dot NMe2 and intermolecular Sn,,, N interactions, which leads to tri- or tetracoordinated tin atoms. Some unsymmetrically N, N '- substituted benzimidazolin- 2- stannylenes have also been synthesized. The molecular structures of 3, 5, and 8 and the relation between the chemical shift recorded for the tin atoms and the solvent ( C6D6 or THF- d (8)) used for recording Sn-119 NMR spectra will be discussed.