N-(2-aminoethyl)-N'-(4-chlorophenyl)urea | 83019-88-9

• 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-(2-aminoethyl)-N'-(4-chlorophenyl)urea
• 英文别名: β-aminoethyl-(p-chlorophenyl)urea；N-[(4-chlorophenyl)carbamoyl]ethylenediamine；N-[(4-chlorophenyl)carbamoyl]ethylene-diamine；1-(2-aminoethyl)-3-(4-chlorophenyl)urea
• CAS: 83019-88-9
• 化学式: C₉H₁₂ClN₃O
• 分子量: 213.667
• InChiKey: PAWAPIJBQMDYGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  67.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2-aminoethyl)-N'-(4-chlorophenyl)urea 、 草酸二乙酯 以 乙醇 为溶剂， 反应 1.0h， 以75%的产率得到N-[(ethoxycarbonyl)carbonyl]-2-aminoethyl N-(4-chlorophenyl)carbamate
  参考文献：
  名称：

  β-oxalylamino-substituted O-ethyl N-arylcarbamates and N-ethyl-N′-arylureas encapsulated into micelles of vinylimidazole–vinylcaprolactam copolymer

  摘要：

  Low-molecular-weight compounds-beta-oxalylamino-substituted O-ethyl carbamates and unsymmetrical ureas showing biological activity-have been synthesized and encapsulated into micelles of vinylimidazole-vinylcaprolactam copolymers. Solubilization in micelles has provided a preparation of water-soluble colloidal formulation of these compounds suitable for practical application.

  DOI：

  10.1134/s0012500817040103
• 作为产物：
  描述：

  对氯苯异氰酸酯 、 乙二胺 以 乙腈 为溶剂， 以90%的产率得到N-(2-aminoethyl)-N'-(4-chlorophenyl)urea
  参考文献：
  名称：

  β-oxalylamino-substituted O-ethyl N-arylcarbamates and N-ethyl-N′-arylureas encapsulated into micelles of vinylimidazole–vinylcaprolactam copolymer

  摘要：

  Low-molecular-weight compounds-beta-oxalylamino-substituted O-ethyl carbamates and unsymmetrical ureas showing biological activity-have been synthesized and encapsulated into micelles of vinylimidazole-vinylcaprolactam copolymers. Solubilization in micelles has provided a preparation of water-soluble colloidal formulation of these compounds suitable for practical application.

  DOI：

  10.1134/s0012500817040103

文献信息

• CH605666
  申请人：——

  公开号：——

  公开（公告）日：——
• .beta.-Adrenergic blocking agents. 22. 1-Phenoxy-3-[[(substituted-amido)alkyl]amino]-2-propanols
  作者：M. S. Large、L. H. Smith

  DOI：10.1021/jm00353a004

  日期：1982.11

  The synthesis of a series of 1-phenoxy-3-[[(substituted-amido)alkyl]amino]-2-propanols is described. Many of the compounds are more potent than propanolol as beta blockers, while having cardioselectivity comparable to that of practolol, when given intravenously to anesthetized cats. The structure-activity relationships shown by this series of compounds provide further evidence that the addition of substituents to the alkylamino moeity of a beta blocker can confer cardioselectivity and that amidic substituents are remarkably effective.
• LARGE, M. S.;SMITH, L. H., J. MED. CHEM., 1982, 25, N 11, 1286-1292
  作者：LARGE, M. S.、SMITH, L. H.

  DOI：——

  日期：——
• β-oxalylamino-substituted O-ethyl N-arylcarbamates and N-ethyl-N′-arylureas encapsulated into micelles of vinylimidazole–vinylcaprolactam copolymer
  作者：M. M. Vorob’ev、L. V. Kovalenko、A. V. Kalistratova、M. S. Oshchepkov、V. S. Filippova、A. A. Khodak、K. A. Kochetkov

  DOI：10.1134/s0012500817040103

  日期：2017.4

  Low-molecular-weight compounds-beta-oxalylamino-substituted O-ethyl carbamates and unsymmetrical ureas showing biological activity-have been synthesized and encapsulated into micelles of vinylimidazole-vinylcaprolactam copolymers. Solubilization in micelles has provided a preparation of water-soluble colloidal formulation of these compounds suitable for practical application.