diethyl (mercapto-methylthio-methyl)phosphonate | 70660-23-0

• 分子结构分类: 有机化合物
• 英文名称: diethyl (mercapto-methylthio-methyl)phosphonate
• 英文别名: diethoxyphosphoryl(methylsulfanyl)methanethiol
• CAS: 70660-23-0
• 化学式: C₆H₁₅O₃PS₂
• 分子量: 230.289
• InChiKey: XEZSFNZYSPNFDU-UHFFFAOYSA-N

物化性质

• 沸点：
  270.6±35.0 °C(Predicted)
• 密度：
  1.194±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.83
• 重原子数：
  12.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.53
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  diethyl (mercapto-methylthio-methyl)phosphonate 、 碘乙烷 生成 Diethyl (ethylthio)(methylthio)methylphosphonate
  参考文献：
  名称：

  Organosulfur compounds. 23. Addition of elemental sulfur to phosphonate carbanions and its application for synthesis of .alpha.-phosphoryl organosulfur compounds. Synthesis of aromatic ketones

  摘要：

  DOI：

  10.1021/jo01331a003
• 作为产物：
  描述：

  methyl (diethoxy)phosphonyldithioformate 在 盐酸 、 dimethyl sulfide borane 作用下， 以 四氢呋喃 为溶剂， 生成 diethyl (mercapto-methylthio-methyl)phosphonate
  参考文献：
  名称：

  Reductions of phosphonodithioformates: Syntheses of β-phosphonyl thiols and hemidithioacetals.

  摘要：

  The phosphonodithioformates appeared versatile precursors to the (mercaptomethyl)phosphonates and derivatives, through sodium borohydride reduction in acetonitrile heated under reflux. By contrast, when the reduction was performed at room temperature with sodium borohydride, the (mercapto-alkylthio-methyl)phosphonates were exclusively obtained; reduction with BH3-Me(2)S (BMS) or within lithium diisopropylaminoborohydride also led to these hemidithioacetals. The aforementioned products of reduction were characterized by the syntheses of various derivatives. In particular, S-phosphonyl trithiocarbonates, N-phenyl imidodithiocarbonate and dithiocarbamate were prepared.

  DOI：

  10.1016/s0040-4020(01)81760-9

文献信息

• MIKOLAJCZYK M.; GRZEJSZCZAK S.; CHEFEZYNSKA A.; ZATORSKI A., J. ORG. CHEM., 1979, 44, NO 17, 2967-2972
  作者：MIKOLAJCZYK M.、 GRZEJSZCZAK S.、 CHEFEZYNSKA A.、 ZATORSKI A.

  DOI：——

  日期：——