N-benzyl-N'-(3-hydroxy-propyl)-urea | 104096-61-9

• 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-benzyl-N'-(3-hydroxy-propyl)-urea
• 英文别名: N-Benzyl-N'-(3-hydroxy-propyl)-harnstoff；1-Benzyl-3-(3-hydroxypropyl)urea
• CAS: 104096-61-9
• 化学式: C₁₁H₁₆N₂O₂
• mdl: MFCD10427509
• 分子量: 208.26
• InChiKey: CSGRKNXFBXXDQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  61.4
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-benzyl-N'-(3-hydroxy-propyl)-urea 在 钯 氢气 作用下， 以 溶剂黄146 为溶剂， 生成 N-(3-hydroxypropyl)urea
  参考文献：
  名称：

  A simple conversion of amines into monosubstituted ureas in organic and aqueous solvents

  摘要：

  A versatile and highly efficient synthesis of monosubstituted ureas is described. The reaction of an amine with 4-nitrophenyl-N-benzylcarbamate, followed by hydrogenolysis, provides the corresponding urea in high yield and purity. This carbamate can also be employed for the derivatization of water-soluble polyamines (e.g. aminoglycoside antibiotics), while other reagents (e.g, benzylisocyanate) fail to give the desired products in any significant yield. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02289-9
• 作为产物：
  描述：

  N-benzyl-N'-(3-hydroxy-propyl)-thiourea 在 silver nitrate 作用下， 生成 N-benzyl-N'-(3-hydroxy-propyl)-urea
  参考文献：
  名称：

  Kjaer; Jensen, Acta Chemica Scandinavica (1947), 1958, vol. 12, p. 1746,1755

  摘要：

  DOI：

文献信息

• Najer et al., Bulletin de la Societe Chimique de France, 1959, p. 1611,1614
  作者：Najer et al.

  DOI：——

  日期：——
• A simple conversion of amines into monosubstituted ureas in organic and aqueous solvents
  作者：Qi Liu、Nathan W Luedtke、Yitzhak Tor

  DOI：10.1016/s0040-4039(00)02289-9

  日期：2001.2

  A versatile and highly efficient synthesis of monosubstituted ureas is described. The reaction of an amine with 4-nitrophenyl-N-benzylcarbamate, followed by hydrogenolysis, provides the corresponding urea in high yield and purity. This carbamate can also be employed for the derivatization of water-soluble polyamines (e.g. aminoglycoside antibiotics), while other reagents (e.g, benzylisocyanate) fail to give the desired products in any significant yield. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Kjaer; Jensen, Acta Chemica Scandinavica (1947), 1958, vol. 12, p. 1746,1755
  作者：Kjaer、Jensen

  DOI：——

  日期：——