1-allyl-3-(4-chlorobenzyl)urea | 65608-78-8

• 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: 1-allyl-3-(4-chlorobenzyl)urea
• 英文别名: 1-[(4-Chlorophenyl)methyl]-3-prop-2-enylurea
• CAS: 65608-78-8
• 化学式: C₁₁H₁₃ClN₂O
• 分子量: 224.69
• InChiKey: LMHQEUGZKPOPMZ-UHFFFAOYSA-N

物化性质

• 沸点：
  416.2±38.0 °C(Predicted)
• 密度：
  1.160±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-异氰酸丙烯 、 对氯苄胺 以 氘代氯仿 为溶剂， 反应 18.0h， 以47%的产率得到1-allyl-3-(4-chlorobenzyl)urea
  参考文献：
  名称：

  A macroporous polymer-supported cyclic anhydride for efficient sequestration of amines

  摘要：

  The efficient removal of primary and secondary amines from organic solutions using a macroporous polymer-supported anhydride is described. The sequestering of primary amines by the anhydride via polymer-bound amide formation is completed within 2-4 h at room temperature. Secondary amines require typically 4 h for complete sequestration. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.08.038

文献信息

• Kinetics and Mechanism of the Aminolysis of Aryl N-Allyl Thiocarbamates in Acetonitrile
  作者：Han-Na Lee、Hyuck-Keun Oh

  DOI：10.5012/bkcs.2010.31.02.475

  日期：2010.2.20
• A macroporous polymer-supported cyclic anhydride for efficient sequestration of amines
  作者：Monica Sanna、Peter D. White、Weng C. Chan

  DOI：10.1016/j.tetlet.2008.08.038

  日期：2008.10

  The efficient removal of primary and secondary amines from organic solutions using a macroporous polymer-supported anhydride is described. The sequestering of primary amines by the anhydride via polymer-bound amide formation is completed within 2-4 h at room temperature. Secondary amines require typically 4 h for complete sequestration. (c) 2008 Elsevier Ltd. All rights reserved.