2-Diethylamino-4,6-bis--1,3,5-triazin | 51850-92-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Diethylamino-4,6-bis--1,3,5-triazin
• 英文别名: N,N'-dimethyl-N,N'-(6-diethylamino-[1,3,5]triazine-2,4-diyl)-bis-hydroxylamine；N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
• CAS: 51850-92-1
• 化学式: C₉H₁₈N₆O₂
• 分子量: 242.281
• InChiKey: GTNMNWJOEHHXMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  88.8
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4,6-二氯-N,N-二乙基-1,3,5-三嗪-2-胺 、 N-甲基羟胺盐酸盐 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 以34%的产率得到2-Diethylamino-4,6-bis--1,3,5-triazin
  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

• Synthesis and Conformational Analysis of Constrained Ethylene-Bridged Bis(hydroxylamino-1,3,5-triazine) Compounds as Tetradentate Ligands; Structure of Rigid Dinuclear Ti(IV) Complex
  作者：Tal Hermon、Edit Y. Tshuva

  DOI：10.1021/jo800966s

  日期：2008.8.1

  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.