Octyl methylphosphonochloridate | 51419-58-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: Octyl methylphosphonochloridate
• 英文别名: 1-[chloro(methyl)phosphoryl]oxyoctane
• CAS: 51419-58-0
• 化学式: C₉H₂₀ClO₂P
• 分子量: 226.683
• InChiKey: UNYZIFVAALQVKH-UHFFFAOYSA-N

物化性质

• 沸点：
  268.6±23.0 °C(Predicted)
• 密度：
  1.035±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Octyl methylphosphonochloridate 在 氨 、 1,3-二溴-1,3,5-三嗪-2,4,6-三酮 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 12.67h， 生成 P-(N,N-dibromoamido)-O-octyl-P-methylphosphinate
  参考文献：
  名称：

  Synthesis of N?-phosphinatodiazene N-oxides

  摘要：

  We have developed a regiospecific method for synthesis of N'-phosphinatodiazene N-oxides, a previously unknown type of azoxy compounds in which the diazene oxide fragment is directly connected with the phosphinate group. The method involves reaction of amidoesters of alkyl- and arylphosphonic acids with nitroso compounds in the presence of dibromoisocyanurate.

  DOI：

  10.1007/bf00863379
• 作为产物：
  描述：

  甲基膦酞二氯 、 辛醇 在 三乙胺 作用下， 以 苯 为溶剂， 生成 Octyl methylphosphonochloridate
  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