4,5-dimethyl-2-(dimethylphosphoryl)-3,6-dihydro-2H-thiopyran S-oxide | 1021879-83-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫吡喃类
• 英文名称: 4,5-dimethyl-2-(dimethylphosphoryl)-3,6-dihydro-2H-thiopyran S-oxide
• 英文别名: 2-dimethylphosphoryl-4,5-dimethyl-3,6-dihydro-2H-thiopyran 1-oxide
• CAS: 1021879-83-3
• 化学式: C₉H₁₇O₂PS
• 分子量: 220.273
• InChiKey: MVVOWVSQVHRUMV-UHFFFAOYSA-N

物化性质

• 沸点：
  467.4±45.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,3-二甲基-1,3-丁二烯 、 α-(dimethylphosphoryl)methyl 5-(1-phenyl)-1H-tetrazolyl sulfoxide 以 1,4-二氧六环 为溶剂， 反应 20.0h， 以85%的产率得到4,5-dimethyl-2-(dimethylphosphoryl)-3,6-dihydro-2H-thiopyran S-oxide
  参考文献：
  名称：

  Thermolyses of α-phosphorylmethyl tetrazolyl sulfoxides in the presence of 2,3-dimethyl-1,3-butadiene and their reactions with several amines

  摘要：

  We have synthesized alpha-(phosphoryl)methyl tetrazolyl sulfoxides and examined the reactivities in the thermolyses and in the presence of several amines, such as aniline, benzylamine, piperidine, pyrrolidine, and morpholine. Thermolyses of the derivatives in the presence of 2,3-dimethyl-1,3-butadiene afforded 2-phosphoryl substituted 4,5-dimethyl-3,6-dihydro-2H-thiopyran S-oxide. In addition, novel phosphinecar-bothioamides were obtained in the reaction of the derivatives with amines. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.082

文献信息

• Thermolyses of α-phosphorylmethyl tetrazolyl sulfoxides in the presence of 2,3-dimethyl-1,3-butadiene and their reactions with several amines
  作者：Hiroyuki Morita、Shintaro Tashiro、Masahiro Takeda、Ken Fujimori、Nobuhiko Yamada、Md. Chanmiya Sheikh、Hiroyuki Kawaguchi

  DOI：10.1016/j.tet.2008.01.082

  日期：2008.4

  We have synthesized alpha-(phosphoryl)methyl tetrazolyl sulfoxides and examined the reactivities in the thermolyses and in the presence of several amines, such as aniline, benzylamine, piperidine, pyrrolidine, and morpholine. Thermolyses of the derivatives in the presence of 2,3-dimethyl-1,3-butadiene afforded 2-phosphoryl substituted 4,5-dimethyl-3,6-dihydro-2H-thiopyran S-oxide. In addition, novel phosphinecar-bothioamides were obtained in the reaction of the derivatives with amines. (c) 2008 Elsevier Ltd. All rights reserved.