N-(1-ethylpropyl)-N'-phenylurea | 100316-87-8

• 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: N-(1-ethylpropyl)-N'-phenylurea
• 英文别名: N-(1-ethyl-propyl)-N'-phenyl-urea；N-(1-Aethyl-propyl)-N'-phenyl-harnstoff；N-(α-Aethyl-propyl)-N'-phenyl-harnstoff；N-Pentyl-(3)-N'-phenyl-harnstoff；1-Pentan-3-yl-3-phenylurea
• CAS: 100316-87-8
• 化学式: C₁₂H₁₈N₂O
• mdl: MFCD06088404
• 分子量: 206.288
• InChiKey: LFYODPPPSQMIJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 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：

  diethyl ketone azine 在 氢气 、 镍 作用下， 生成 N-(1-ethylpropyl)-N'-phenylurea
  参考文献：
  名称：

  Mailhe, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1920, vol. 170, p. 1265

  摘要：

  DOI：

文献信息

• An efficient and mild protocol for the synthesis of unsymmetrical ureas in the absence of catalyst and additives
  作者：Rahman Hosseinzadeh、Yaghoub Sarrafi、Nora Aghili

  DOI：10.1016/j.cclet.2010.06.014

  日期：2010.10

  Abstract A new practical method for the synthesis of unsymmetrical ureas was achieved by reaction of phenylurea with primary and secondary amines under neutral and mild condition in very good yields. The reaction took place in refluxing dioxane and does not require any catalyst or additives.

  摘要在中性和温和条件下，苯脲与伯胺和仲胺反应，制得了一种合成不对称脲的实用新方法，收率很高。该反应在回流的二恶烷中进行，不需要任何催化剂或添加剂。
• Synthesis of Unsymmetrical Ureas and<i>S</i>-Thiocarbamates under Catalyst-free Conditions in a [BMIM]BF₄Ionic Liquid
  作者：Rahman Hosseinzadeh、Mahmood Tajbakhsh、Nora Aghili

  DOI：10.1002/hc.21244

  日期：2015.3

  Unsymmetrical ureas and S-thiocarbamates were prepared in good to excellent yields by direct condensation of phenylurea with amines and thiols in 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM]BF4) without the addition of any additives. The [BMIM]BF4 ionic liquid is a mild medium and can be recycled and reused several times.

  通过将苯基脲与胺和硫醇在 1-丁基-3-甲基咪唑鎓四氟硼酸盐 ([BMIM]BF4) 中直接缩合，无需添加任何添加剂，以良好至极好的收率制备了不对称脲和 S-硫代氨基甲酸酯。[BMIM]BF4离子液体是一种温和的介质，可以多次回收再利用。
• Treatment for lung cancer
  申请人：Merrill A. Bryon

  公开号：US20050267145A1

  公开（公告）日：2005-12-01

  The present invention provides methods, pharmaceutical compositions, and pharmaceutical combinations useful for treating lung cancer. Generally, the compositions include a 5-LO inhibitor in an amount effective to inhibit 5-lipoxygenase in an inhalable formulation. In some cases, the formulation may further include an IRM compound. Generally, the pharmaceutical combinations include a 5-LO inhibitor and an IRM compound in an inhalable formulation. Generally, the methods include administering to the subject an inhalable formulation that comprises a 5-lipoxygenase inhibitor having a cLogP of at least about 4.0 in an amount effective for treating lung cancer.