4-methyl-2,6,7-trioxa-1-phospha-bicyclo[2.2.2]octane 1-selenide | 67471-54-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环化合物
• 英文名称: 4-methyl-2,6,7-trioxa-1-phospha-bicyclo[2.2.2]octane 1-selenide
• 英文别名: 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-selenide；4-methyl-1-selanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane
• CAS: 67471-54-9
• 化学式: C₅H₉O₃PSe
• 分子量: 227.058
• InChiKey: SYGUZFPSTDOTPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-Methyl-2,6,7-trioxa-1-phospha-bicyclo[2.2.2]octane 1-sulfide 在 selenium 作用下， 以 甲苯 为溶剂， 反应 3.0h， 生成 4-methyl-2,6,7-trioxa-1-phospha-bicyclo[2.2.2]octane 1-selenide
  参考文献：
  名称：

  Electron impact induced fragmentation of 4-alkyl derivatives of 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane and the corresponding 1-oxides, 1-sulfides and 1-selenides

  摘要：

  AbstractThe electron impact fragmentations of several derivatives of 2,6,7‐trioxa‐1‐phosphabicyclo[2.2.2]octane have been examined by means of high resolution and metastable ion analysis. The principal fragmentation route for bicyclophosphites, phosphates and phosphorothionates involves a loss of formaldehyde, followed by a loss of the PO2X and HPO2X groups (X = ‐, O, S). The behaviour of phosphoroselenates is quite different, due partly to the favoured loss of selenium from the molecular ion before further fragmentation. Fragmentation through CO bond breaking and a rearranged molecular ion is dependent on the exocyclic chalcogen atom (‐, O, S, Se) on phosphorus. The reactions have been rationalized in terms of 1‐ and 4‐substitutions.

  DOI：

  10.1002/oms.1210151007

文献信息

• Electron impact induced fragmentation of 4-alkyl derivatives of 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane and the corresponding 1-oxides, 1-sulfides and 1-selenides
  作者：Hilkka Kenttämaa、Jouni Enqvist

  DOI：10.1002/oms.1210151007

  日期：1980.10

  AbstractThe electron impact fragmentations of several derivatives of 2,6,7‐trioxa‐1‐phosphabicyclo[2.2.2]octane have been examined by means of high resolution and metastable ion analysis. The principal fragmentation route for bicyclophosphites, phosphates and phosphorothionates involves a loss of formaldehyde, followed by a loss of the PO2X and HPO2X groups (X = ‐, O, S). The behaviour of phosphoroselenates is quite different, due partly to the favoured loss of selenium from the molecular ion before further fragmentation. Fragmentation through CO bond breaking and a rearranged molecular ion is dependent on the exocyclic chalcogen atom (‐, O, S, Se) on phosphorus. The reactions have been rationalized in terms of 1‐ and 4‐substitutions.