2-ethylhexyl p-nitrophenyl methylphosphonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-ethylhexyl p-nitrophenyl methylphosphonate
• 英文别名: 1-(2-Ethylhexoxy-methyl-oxidophosphaniumyl)oxy-4-nitrobenzene；1-(2-ethylhexoxy-methyl-oxidophosphaniumyl)oxy-4-nitrobenzene
• 化学式: C₁₅H₂₄NO₅P
• 分子量: 329.333
• InChiKey: MDTWLUUBFQPDRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  87.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-乙基己醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 三乙胺 作用下， 以 苯 为溶剂， 生成 2-ethylhexyl p-nitrophenyl methylphosphonate
  参考文献：
  名称：

  Shape and Aggregating Tendency. The Aggregating Behavior of Eight Esters of Eight-Carbon Carboxylic Acids

  摘要：

  The aggregating tendencies of eight p-nitrophenyl esters of eight-carbon carboxylic acids (1-8) and two O-octyl phosphonates (10, 11) have been evaluated by measuring their critical aggregate concentrations (CAgC's). Results show that (1) branching reduces aggregating tendency and (2) flexibility of the hydrocarbon chain favors aggregation. The behavior of a ''spheroidal'' molecule 8 shows that shape is undoubtedly an important factor that affects the aggregating tendency. This conclusion is unmistakably confirmed by the CAgC of an ester of the seven-carbon acid 9.

  DOI：

  10.1021/ja00156a003

文献信息

• Shape and Aggregating Tendency. The Aggregating Behavior of Eight Esters of Eight-Carbon Carboxylic Acids
  作者：Xi-Kui Jiang、Guo-Zhen Ji、Bo Tu、Xin-Yu Zhang、Ji-Liang Shi、Xin Chen

  DOI：10.1021/ja00156a003

  日期：1995.12

  The aggregating tendencies of eight p-nitrophenyl esters of eight-carbon carboxylic acids (1-8) and two O-octyl phosphonates (10, 11) have been evaluated by measuring their critical aggregate concentrations (CAgC's). Results show that (1) branching reduces aggregating tendency and (2) flexibility of the hydrocarbon chain favors aggregation. The behavior of a ''spheroidal'' molecule 8 shows that shape is undoubtedly an important factor that affects the aggregating tendency. This conclusion is unmistakably confirmed by the CAgC of an ester of the seven-carbon acid 9.