di-(2,2-dimethyl-1-propyl) tert-butylphosphonothioate | 1202279-14-8

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机硫代磷化合物
• 英文名称: di-(2,2-dimethyl-1-propyl) tert-butylphosphonothioate
• CAS: 1202279-14-8
• 化学式: C₁₄H₃₁O₂PS
• 分子量: 294.439
• InChiKey: IMWRKILYVJGACO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.22
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  di-(2,2-dimethyl-1-propyl) tert-butylphosphonite 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以84%的产率得到di-(2,2-dimethyl-1-propyl) tert-butylphosphonothioate
  参考文献：
  名称：

  Synthesis and characterisation of severely hindered P-OR compounds

  摘要：

  P-Cl substrates were converted into their P-OR analogues from hindered alcohols using an amine base. Where the system was severely hindered, more forcing conditions were required that necessitated the presence of a metal alkoxide nucleophile before successful reactions were observed. In some instances, the products were thermally unstable and reverted to alkenes by elimination reactions, while others were sensitive to moisture. Here, hydrolysis products prevailed if moisture was not rigorously excluded. Details are presented to obtain the P(III) and P(V) esters, diesters and half esters. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.10.008

文献信息

• Synthesis and characterisation of severely hindered P-OR compounds
  作者：D. Bradley G. Williams、Takelani E. Netshiozwi

  DOI：10.1016/j.tet.2009.10.008

  日期：2009.11

  P-Cl substrates were converted into their P-OR analogues from hindered alcohols using an amine base. Where the system was severely hindered, more forcing conditions were required that necessitated the presence of a metal alkoxide nucleophile before successful reactions were observed. In some instances, the products were thermally unstable and reverted to alkenes by elimination reactions, while others were sensitive to moisture. Here, hydrolysis products prevailed if moisture was not rigorously excluded. Details are presented to obtain the P(III) and P(V) esters, diesters and half esters. (C) 2009 Elsevier Ltd. All rights reserved.