4'-(4-aminophenoxy)-N,N-dimethyl benzenamine | 63029-13-0

• 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: 4'-(4-aminophenoxy)-N,N-dimethyl benzenamine
• 英文别名: p-NH2,p'-N(CH3)2-Diphenyloxid；4-(4-aminophenoxy)-N,N-dimethyl benzenamine；4-[4-(dimethylamino)phenoxy]aniline
• CAS: 63029-13-0
• 化学式: C₁₄H₁₆N₂O
• 分子量: 228.294
• InChiKey: CPWZAMWAQBTASE-UHFFFAOYSA-N

物化性质

• 沸点：
  382.8±27.0 °C(Predicted)
• 密度：
  1.139±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  38.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氨基-2-氯嘧啶 、 4'-(4-aminophenoxy)-N,N-dimethyl benzenamine 在 盐酸 作用下， 以 甲醇 为溶剂， 以30%的产率得到2-N-[4-[4-(dimethylamino)phenoxy]phenyl]pyrimidine-2,4-diamine
  参考文献：
  名称：

  The discovery of aminopyrazines as novel, potent Nav1.7 antagonists: Hit-to-lead identification and SAR

  摘要：

  Herein the discovery of a novel class of aminoheterocyclic Na(v)1.7 antagonists is reported. Hit compound 1 was potent but suffered from poor pharmacokinetics and selectivity. The compact structure of 1 offered a modular synthetic strategy towards a broad structure-activity relationship analysis. This analysis led to the identification of aminopyrazine 41, which had vastly improved hERG selectivity and pharmacokinetic properties. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.023
• 作为产物：
  描述：

  4-二甲氨基苯酚 在 palladium on activated charcoal 氢氧化钾 、 一水合肼 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 反应 21.0h， 生成 4'-(4-aminophenoxy)-N,N-dimethyl benzenamine
  参考文献：
  名称：

  某些结晶二苯醚中分子偶极矩与中心对称性的相关性。

  摘要：

  二苯醚中大分子偶极矩的存在无疑导致了中心对称的晶体结构。

  DOI：

  10.1039/b502516h

文献信息

• SOLUBLE, PROCESSABLE POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES
  申请人：International Business Machines Corporation

  公开号：US20150376451A1

  公开（公告）日：2015-12-31

  Polyhexahydrotriazine (PHT) and polyhemiaminal (PHA) materials incorporating divalent or trivalent bridging groups tend to form highly cross-linked polymers. While highly cross-linked polymers have certain advantageous with respect to stability and various physical characteristics, they are difficult to process once formed. PHA and PHT materials incorporating a plurality of trivalent PHA/PHT groups, a plurality of divalent bridging groups, and a plurality of monovalent end groups are disclosed. According to an embodiment, the cross-link density and molecular weight can be controlled by the inclusion of the end groups. Lower cross-link density and molecular weight give PHA and PHT materials improved characteristics with respect to film and fiber formation methods. A method of coating a component or substrate with a polymer is also disclosed. Embodiments of the method can be used to form either a PHA or PHT film on a substrate, such as microelectronic component.
• US9512332B2
  申请人：——

  公开号：US9512332B2

  公开（公告）日：2016-12-06
• Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers
  作者：Archan Dey、Gautam R. Desiraju

  DOI：10.1039/b502516h

  日期：——

  The presence of a large molecular dipole moment in diphenyl ethers leads unequivocally to a centrosymmetric crystal structure.

  二苯醚中大分子偶极矩的存在无疑导致了中心对称的晶体结构。
• The discovery of aminopyrazines as novel, potent Nav1.7 antagonists: Hit-to-lead identification and SAR
  作者：Howard Bregman、Hanh Nho Nguyen、Elma Feric、Joseph Ligutti、Dong Liu、Jeff S. McDermott、Ben Wilenkin、Anruo Zou、Liyue Huang、Xingwen Li、Stefan I. McDonough、Erin F. DiMauro

  DOI：10.1016/j.bmcl.2012.01.023

  日期：2012.3

  Herein the discovery of a novel class of aminoheterocyclic Na(v)1.7 antagonists is reported. Hit compound 1 was potent but suffered from poor pharmacokinetics and selectivity. The compact structure of 1 offered a modular synthetic strategy towards a broad structure-activity relationship analysis. This analysis led to the identification of aminopyrazine 41, which had vastly improved hERG selectivity and pharmacokinetic properties. (C) 2012 Elsevier Ltd. All rights reserved.