1-(3-Amino-propyl)-3-(4-trifluoromethyl-phenyl)-urea | 808103-13-1

• 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: 1-(3-Amino-propyl)-3-(4-trifluoromethyl-phenyl)-urea
• 英文别名: 1-(3-Aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
• CAS: 808103-13-1
• 化学式: C₁₁H₁₄F₃N₃O
• 分子量: 261.247
• InChiKey: UENFXQDDRFMGIS-UHFFFAOYSA-N

物化性质

• 沸点：
  325.9±42.0 °C(Predicted)
• 密度：
  1.296±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  67.2
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(3-Amino-propyl)-3-(4-trifluoromethyl-phenyl)-urea 在 sodium cyanoborohydride 、 溶剂黄146 、 calcium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 1-[3-[3-(2,4-Dibromophenoxy)propyl-methylamino]propyl]-3-[4-(trifluoromethyl)phenyl]urea
  参考文献：
  名称：

  Aryl urea analogs with broad-spectrum antibacterial activity

  摘要：

  The preparation and evaluation of novel aryl urea analogs as broad-spectrum antibacterial agents is described. Numerous compounds showed low micromolar minimum inhibitory concentrations (MIC) against both Gram-positive and Gram-negative bacteria. Selected analogs also exhibited in vivo efficacy in a lethal murine model of bacterial septicemia. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.059
• 作为产物：
  描述：

  4-三氟甲基苯基异氰酸酯 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 1-(3-Amino-propyl)-3-(4-trifluoromethyl-phenyl)-urea
  参考文献：
  名称：

  Aryl urea analogs with broad-spectrum antibacterial activity

  摘要：

  The preparation and evaluation of novel aryl urea analogs as broad-spectrum antibacterial agents is described. Numerous compounds showed low micromolar minimum inhibitory concentrations (MIC) against both Gram-positive and Gram-negative bacteria. Selected analogs also exhibited in vivo efficacy in a lethal murine model of bacterial septicemia. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.059

文献信息

• Synthesis and anion binding properties of phthalimide-containing corona[6]arenes
  作者：Meng-Di Gu、Yao Lu、Mei-Xiang Wang

  DOI：10.3762/bjoc.15.193

  日期：——

  Functionalized O6-corona[3]arene[3]tetrazines were synthesized efficiently and conveniently by means of a macrocyclic condensation reaction between N-functionalized 3,6-dihydroxyphthalimides and 3,6-dichlorotetrazine under mild conditions in a one-pot reaction manner. The novel macrocycles exist as a mixture of rapidly interconvertible conformers in solution while in the solid state they adopt the

  通过N-官能化的3,6-二羟基邻苯二甲酰亚胺和3,6-二氯四嗪之间的温和条件下的一锅反应，通过大环缩合反应，可以高效，方便地合成功能化的O 6 -Corona [3]芳烃[3]四嗪。。新型大环化合物以快速可互换构象异构体的混合物形式存在于溶液中，而在固态时，它们采用的构象是三个邻苯二甲酰亚胺单元顺式，反式取向的。合成的O 6用作缺电子的大环主体由于阴离子与四嗪环之间的阴离子-π非共价相互作用，-Corona [3] arene [3]四嗪可自调节构象结构，使其在气相和固态中与复杂的阴离子形成复合物。
• Novel aryl urea analogs and use thereof as antibacterial agents
  申请人：Seth P. Punit

  公开号：US20060030603A1

  公开（公告）日：2006-02-09

  Antibacterial compounds are described herein having either formula (I) or formula (II): wherein R 1A , R 1B , R 1C , R 1D , X, Z, Q, R 2A , R 2B , R 2C and R 2D are as defined herein. Compositions comprising compounds of formulas (I) and (II) are also provided.

  本文描述了具有以下式（I）或式（II）的抗菌化合物：其中R1A、R1B、R1C、R1D、X、Z、Q、R2A、R2B、R2C和R2D的定义如本文所述。还提供了包含式（I）和（II）化合物的组合物。
• DE1802739
  申请人：——

  公开号：——

  公开（公告）日：——
• Aryl urea analogs with broad-spectrum antibacterial activity
  作者：Punit P. Seth、Ray Ranken、Dale E. Robinson、Stephen A. Osgood、Lisa M. Risen、Elizabeth L. Rodgers、Michael T. Migawa、Elizabeth A. Jefferson、Eric E. Swayze

  DOI：10.1016/j.bmcl.2004.08.059

  日期：2004.11

  The preparation and evaluation of novel aryl urea analogs as broad-spectrum antibacterial agents is described. Numerous compounds showed low micromolar minimum inhibitory concentrations (MIC) against both Gram-positive and Gram-negative bacteria. Selected analogs also exhibited in vivo efficacy in a lethal murine model of bacterial septicemia. (C) 2004 Elsevier Ltd. All rights reserved.