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 | 1040350-46-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 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
• CAS: 1040350-46-6
• 化学式: C₁₈H₃₄N₁₂O₂
• 分子量: 450.547
• InChiKey: FFWRTJPYSGWOIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  32
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  155
• 氢给体数：
  4
• 氢受体数：
  14

反应信息

• 作为产物：
  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