N-benzyloxy-N'-(2-bromophenyl)urea | 325852-49-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-benzyloxy-N'-(2-bromophenyl)urea
• 英文别名: N-(Benzyloxy)-N'-(2-bromophenyl)urea；1-(2-bromophenyl)-3-phenylmethoxyurea
• CAS: 325852-49-1
• 化学式: C₁₄H₁₃BrN₂O₂
• 分子量: 321.173
• InChiKey: RLQRIBAFHZQDEX-UHFFFAOYSA-N

物化性质

• 熔点：
  113-114 °C
• 密度：
  1.496±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  苯基丙醇水合物 、 N-benzyloxy-N'-(2-bromophenyl)urea 以 二氯甲烷 为溶剂， 反应 46.0h， 以80%的产率得到N-[(benzoyl)(hydroxy)methyl]-N-benzyloxy-N'-(2-bromophenyl)urea
  参考文献：
  名称：

  Pyramidal nitrogen in the crystal of N-[(benzoyl)-(hydroxy)methyl]-N-benzyloxy-N’-(2-bromophenyl)urea

  摘要：

  Phenylglyoxal reacts with N-benzyloxy-N'-(2-bromopheny)urea forming N-[(benzoyl)(hydroxy)methyl]-N-benzyloxy-N'-(2-bromophenypurea. As it was found by XRD study, the molecules of the latter in crystal exist in two forms which vary in a different degree of pyramidality of the same nitrogen atom. Reactions of N-ethoxy-N'-phenylurea and N-benzyloxy-N'-(4-nitrophenyl)urea with phenylglyoxal lead to cyclic products.

  DOI：

  10.1016/j.mencom.2010.05.015
• 作为产物：
  描述：

  O-苄基羟胺 、 异氰酸2-溴苯酯 以 苯 为溶剂， 反应 70.0h， 以83%的产率得到N-benzyloxy-N'-(2-bromophenyl)urea
  参考文献：
  名称：

  Pyramidal nitrogen in the crystal of N-[(benzoyl)-(hydroxy)methyl]-N-benzyloxy-N’-(2-bromophenyl)urea

  摘要：

  Phenylglyoxal reacts with N-benzyloxy-N'-(2-bromopheny)urea forming N-[(benzoyl)(hydroxy)methyl]-N-benzyloxy-N'-(2-bromophenypurea. As it was found by XRD study, the molecules of the latter in crystal exist in two forms which vary in a different degree of pyramidality of the same nitrogen atom. Reactions of N-ethoxy-N'-phenylurea and N-benzyloxy-N'-(4-nitrophenyl)urea with phenylglyoxal lead to cyclic products.

  DOI：

  10.1016/j.mencom.2010.05.015

文献信息

• Pyramidal nitrogen in the crystal of N-[(benzoyl)-(hydroxy)methyl]-N-benzyloxy-N’-(2-bromophenyl)urea
  作者：Remir G. Kostyanovsky、Vasiliy G. Shtamburg、Oleg V. Shishkin、Roman I. Zubatyuk、Victor V. Shtamburg、Andrey A. Anishchenko、Alexander V. Mazepa

  DOI：10.1016/j.mencom.2010.05.015

  日期：2010.5

  Phenylglyoxal reacts with N-benzyloxy-N'-(2-bromopheny)urea forming N-[(benzoyl)(hydroxy)methyl]-N-benzyloxy-N'-(2-bromophenypurea. As it was found by XRD study, the molecules of the latter in crystal exist in two forms which vary in a different degree of pyramidality of the same nitrogen atom. Reactions of N-ethoxy-N'-phenylurea and N-benzyloxy-N'-(4-nitrophenyl)urea with phenylglyoxal lead to cyclic products.