N,N'-Bis<(ethylamino)chlor-s-triazinyl>ethylendiamin | 53215-20-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: N,N'-Bis<(ethylamino)chlor-s-triazinyl>ethylendiamin
• 英文别名: 6,6'-dichloro-N⁴,N⁴,N⁴',N⁴'-tetraethyl-N²,N²'-ethane-1,2-diyl-bis-[1,3,5]triazine-2,4-diamine；6-chloro-4-N-[2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
• CAS: 53215-20-6
• 化学式: C₁₆H₂₆Cl₂N₁₀
• 分子量: 429.355
• InChiKey: QIDQGXUBEKMSGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.58
• 重原子数：
  28.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  107.88
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  N-甲基羟胺盐酸盐 、 N,N'-Bis<(ethylamino)chlor-s-triazinyl>ethylendiamin 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 24.0h， 以71%的产率得到N-[4-(diethylamino)-6-[2-[[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
  参考文献：
  名称：

  约束的乙烯桥联双（羟基氨基-1,3,5-三嗪）四齿配体的合成和构象分析; 刚性双核Ti（IV）配合物的结构

  摘要：

  Ethylene-bridged bis(hydroxylamino-1,3,5-triazine) compounds, that may serve as tetradentate ligands, were synthesized in three steps from 2,4,6-trichloro-1,3,5-triazine. These compounds demonstrate different rotation restrictions around the C-Ar-N bonds due to their distinctive electronic structure as apparent from their resonative contributors. A dinuclear complex Ti-2(mu-L)(2)(OiPr)(4) (L = bis(triazine)) was synthesized where each octahedral Ti(IV) center is also bound to two isopropoxo groups. The complex rigidity is manifested in a significant deviation from planarity of the aromatic systems, and relatively long Ti-N bonds compared to mononuclear analogous complexes. Increased ligand lability in this complex brings about diminished cytotoxicity toward colon and ovarian cells.

  DOI：

  10.1021/jo800966s
• 作为产物：
  描述：

  4,6-二氯-N,N-二乙基-1,3,5-三嗪-2-胺 、 乙二胺 在 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 以52%的产率得到N,N'-Bis<(ethylamino)chlor-s-triazinyl>ethylendiamin
  参考文献：
  名称：

  约束的乙烯桥联双（羟基氨基-1,3,5-三嗪）四齿配体的合成和构象分析; 刚性双核Ti（IV）配合物的结构

  摘要：

  Ethylene-bridged bis(hydroxylamino-1,3,5-triazine) compounds, that may serve as tetradentate ligands, were synthesized in three steps from 2,4,6-trichloro-1,3,5-triazine. These compounds demonstrate different rotation restrictions around the C-Ar-N bonds due to their distinctive electronic structure as apparent from their resonative contributors. A dinuclear complex Ti-2(mu-L)(2)(OiPr)(4) (L = bis(triazine)) was synthesized where each octahedral Ti(IV) center is also bound to two isopropoxo groups. The complex rigidity is manifested in a significant deviation from planarity of the aromatic systems, and relatively long Ti-N bonds compared to mononuclear analogous complexes. Increased ligand lability in this complex brings about diminished cytotoxicity toward colon and ovarian cells.

  DOI：

  10.1021/jo800966s

文献信息

• KREUTZBERGER, ALFRED;LANGNER, PETER;STRATMANN, JORG, CHEM. -ZIG., 114,(1990) N0, C. 322-325
  作者：KREUTZBERGER, ALFRED、LANGNER, PETER、STRATMANN, JORG

  DOI：——

  日期：——