1-(3-[1,10]phenanthrolin-2-yl-phenyl)-3-(4-trifluoromethylphenyl)urea | 889063-15-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(3-[1,10]phenanthrolin-2-yl-phenyl)-3-(4-trifluoromethylphenyl)urea
• 英文别名: 1-[3-(1,10-Phenanthrolin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea；1-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
• CAS: 889063-15-4
• 化学式: C₂₆H₁₇F₃N₄O
• 分子量: 458.442
• InChiKey: WWERAQDZJFGVQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  66.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tetrakis(acetonitrile)copper(I) perchlorate 、 1-(3-[1,10]phenanthrolin-2-yl-phenyl)-3-(4-trifluoromethylphenyl)urea 以 甲醇 、 二氯甲烷 为溶剂， 以99%的产率得到[Cu(1-(3-[1,10]phenanthrolin-2-ylphenyl)-3-(4-trifluoromethylphenyl)urea)2](ClO4)
  参考文献：
  名称：

  Metal-Controlled Assembly and Selectivity of a Urea-Based Anion Receptor

  摘要：

  1-( 3-[ 1,10] phenanthrolin-2-yl-phenyl)-3-( 4-trifluoromethyl-phenyl)-urea ( 1) forms a solution-stable 1:2 complex with copper( I), [ Cu-I( 1)(2)](+), which behaves as an anion receptor in aprotic media. The [ Cu-I( 1)(2)](+) receptor may adopt a geometrical arrangement in which the two facing urea subunits give tetrafurcate H-bond interaction with a spherical anion ( halides and H2PO4-). In the presence of the Y-shaped acetate, the [ Cu-I(1)(2)](+) receptor rearranges to interact with two CH3COO- ions, according to two stepwise equilibria. Thus, in the presence of substoichiometric amounts of the anions, [ Cu-I( 1)(2)](+) discriminates H2PO4- over CH3COO-, inverting the basicity trend.

  DOI：

  10.1021/ic060160x

文献信息

• Metal-Controlled Assembly and Selectivity of a Urea-Based Anion Receptor
  作者：Valeria Amendola、Massimo Boiocchi、Benoît Colasson、Luigi Fabbrizzi

  DOI：10.1021/ic060160x

  日期：2006.8.1

  1-( 3-[ 1,10] phenanthrolin-2-yl-phenyl)-3-( 4-trifluoromethyl-phenyl)-urea ( 1) forms a solution-stable 1:2 complex with copper( I), [ Cu-I( 1)(2)](+), which behaves as an anion receptor in aprotic media. The [ Cu-I( 1)(2)](+) receptor may adopt a geometrical arrangement in which the two facing urea subunits give tetrafurcate H-bond interaction with a spherical anion ( halides and H2PO4-). In the presence of the Y-shaped acetate, the [ Cu-I(1)(2)](+) receptor rearranges to interact with two CH3COO- ions, according to two stepwise equilibria. Thus, in the presence of substoichiometric amounts of the anions, [ Cu-I( 1)(2)](+) discriminates H2PO4- over CH3COO-, inverting the basicity trend.