1-(4-dimethylaminophenyl)-3-(4-nitrophenyl)urea

• 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-(4-dimethylaminophenyl)-3-(4-nitrophenyl)urea
• 英文别名: 1-[4-(Dimethylamino)phenyl]-3-(4-nitrophenyl)urea
• 化学式: C₁₅H₁₆N₄O₃
• 分子量: 300.317
• InChiKey: HWUUMXISICINMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  90.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  异氰酸对硝基苯 、 N,N-二甲基-对苯二胺 以 四氢呋喃 为溶剂， 反应 9.0h， 以70%的产率得到1-(4-dimethylaminophenyl)-3-(4-nitrophenyl)urea
  参考文献：
  名称：

  Urea-based constructs readily amplify and attenuate nonlinear optical activity in response to H-bonding and anion recognition

  摘要：

  首次证明基于尿素的分子结构在溶液中具有非线性光学（NLO）活性。我们证明自组装触发了 NLO 活性的大幅扩增和特定阴离子识别驱动的衰减。这种正交调制以及出色的非线性-透明度权衡使它们成为有吸引力的非线性光学探针，用于通过二次谐波显微镜进行弱自组装和阴离子传输相关的研究。

  DOI：

  10.1039/c2cc36631b

文献信息

• “Wurster-Type” Ureas as Redox-Active Receptors for Anions
  作者：John P. Clare、Anna Statnikov、Vincent Lynch、Andrew L. Sargent、John W. Sibert

  DOI：10.1021/jo9011392

  日期：2009.9.4

  Four redox-active receptors, 1-4, based on the incorporation of p-phenylenediamine(s) within a urea framework, were synthesized, and the affinities of two for a series of anions were quantified through UV-vis and NMR spectroscopic studies. The structure of 1 was confirmed by X-ray crystallography. For the oxoanions studied, complex stabilities approached 10(6) M-1 in acetonitrile and decreased with the decreasing basicity of the anion (CH3COO- > C6H5COO- > H2PO4- > NO2- > NO3-). The presence of the urea functionality caused an increase in the oxidation potential of the p-phenylenediamine subunit compared to that of free p-phenylenediamine. Electrochemical studies of the anion complexes revealed two-wave behavior with the appearance of a second oxidation wave cathodic to that in the free receptors and characteristic of the bound anion, Ab initio DFT studies of a representative acetate complex revealed the consequences of host oxidation state on complex structure.
• NOVEL COMPOUNDS
  申请人：New Pharma Research Sweden AB

  公开号：EP1224165A1

  公开（公告）日：2002-07-24
• US6875764B1
  申请人：——

  公开号：US6875764B1

  公开（公告）日：2005-04-05
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES
  申请人：NEW PHARMA RES SWEDEN AB

  公开号：WO2001030749A1

  公开（公告）日：2001-05-03

  The present invention relates to novel compounds, pharmaceutical compositions containing the same as well as a method for treatment of parasitic disorders, wherein said compounds are administered. The present compounds are especially well suited for treatment of coccidiosis, particularly in poultry, and they have general formula (I), where Y is S or O and R is as defined in the specification.
• Urea-based constructs readily amplify and attenuate nonlinear optical activity in response to H-bonding and anion recognition
  作者：Deepak Asthana、Ravindra Pandey、Pritam Mukhopadhyay

  DOI：10.1039/c2cc36631b

  日期：——

  Urea-based molecular constructs are shown for the first time to be nonlinear optically (NLO) active in solution. We demonstrate self-assembly triggered large amplification and specific anion recognition driven attenuation of the NLO activity. This orthogonal modulation along with an excellent nonlinearity-transparency trade-off makes them attractive NLO probes for studies related to weak self-assembly and anion transportation by second harmonic microscopy.

  首次证明基于尿素的分子结构在溶液中具有非线性光学（NLO）活性。我们证明自组装触发了 NLO 活性的大幅扩增和特定阴离子识别驱动的衰减。这种正交调制以及出色的非线性-透明度权衡使它们成为有吸引力的非线性光学探针，用于通过二次谐波显微镜进行弱自组装和阴离子传输相关的研究。