N-tert-butyl-N'-[bis(chloromethyl)phosphinyl]urea | 503003-53-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: N-tert-butyl-N'-[bis(chloromethyl)phosphinyl]urea
• 英文别名: 1-[bis(chloromethyl)phosphoryl]-3-tert-butylurea
• CAS: 503003-53-0
• 化学式: C₇H₁₅Cl₂N₂O₂P
• 分子量: 261.088
• InChiKey: VVDOKKLWAKIFFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-tert-butyl-N'-[bis(chloromethyl)phosphinyl]urea 在 三乙胺 、 水 作用下， 以 苯 为溶剂， 反应 7.0h， 以47%的产率得到N-tert-butylisouroniomethyl(chloromethyl)phosphinate
  参考文献：
  名称：

  摘要：

  Bis(chloromethyl)phosphinic (-phosphinothioic) iso(thio)cyanates add secondary amines to form N-phosphorylated (thio)ureas, which cyclize in the presence of a base to 1,3,4lambda(5)-oxaza(thiaza)phospholines. Phosphorylated ureas obtained by addition of ammonia and primary amines to chloromethylphosphonic (-phosphinic) isocyanates cyclize to give 1,4,2-diazaphospholidines or 1,3,4-oxazaphospholines. Prototropic transformations in the series of 1,3,4lambda(5)-oxazaphospholines were revealed; the electronic and steric structures of the tautomers were studied. Chi oromethylphosphonothioic (-phosphinothioic) isothiocyanates add primary amines to give 1,3,4lambda(5)-thiazaphospholines.

  DOI：

  10.1023/a:1020746615033
• 作为产物：
  描述：

  叔丁胺 、 bis(chloromethyl)phosphinoyl isocyanate 以 乙醚 为溶剂， 以80%的产率得到N-tert-butyl-N'-[bis(chloromethyl)phosphinyl]urea
  参考文献：
  名称：

  摘要：

  Bis(chloromethyl)phosphinic (-phosphinothioic) iso(thio)cyanates add secondary amines to form N-phosphorylated (thio)ureas, which cyclize in the presence of a base to 1,3,4lambda(5)-oxaza(thiaza)phospholines. Phosphorylated ureas obtained by addition of ammonia and primary amines to chloromethylphosphonic (-phosphinic) isocyanates cyclize to give 1,4,2-diazaphospholidines or 1,3,4-oxazaphospholines. Prototropic transformations in the series of 1,3,4lambda(5)-oxazaphospholines were revealed; the electronic and steric structures of the tautomers were studied. Chi oromethylphosphonothioic (-phosphinothioic) isothiocyanates add primary amines to give 1,3,4lambda(5)-thiazaphospholines.

  DOI：

  10.1023/a:1020746615033