α-(diphenylphosphoryl)methyl 5-(1-phenyl)-1H-tetrazolyl sulfoxide | 1021879-81-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: α-(diphenylphosphoryl)methyl 5-(1-phenyl)-1H-tetrazolyl sulfoxide
• 英文别名: Diphenyl(((1-phenyl-1H-tetrazol-5-yl)sulfinyl)methyl)phosphine oxide；5-(diphenylphosphorylmethylsulfinyl)-1-phenyltetrazole
• CAS: 1021879-81-1
• 化学式: C₂₀H₁₇N₄O₂PS
• 分子量: 408.42
• InChiKey: UKGMNNBFGWMWBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  97
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  α-(diphenylphosphoryl)methyl 5-(1-phenyl)-1H-tetrazolyl sulfoxide 、 苄胺 以 1,4-二氧六环 为溶剂， 反应 1.75h， 以49%的产率得到diphenylphosphorylthioformic acid benzylamide
  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
• 作为产物：
  描述：

  α-(diphenylphosphoryl)methyl 5-(1-phenyl)-1H-tetrazolyl sulfide 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 反应 1.0h， 以64%的产率得到α-(diphenylphosphoryl)methyl 5-(1-phenyl)-1H-tetrazolyl sulfoxide
  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