N-[1-(4-pyridyl)ethylidene]-2-(trifluoromethyl)aniline | 133671-38-2

• 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-(4-pyridyl)ethylidene]-2-(trifluoromethyl)aniline
• 英文别名: N-<1-(4-pyridyl)ethylidene>-2-(trifluoromethyl)aniline
• CAS: 133671-38-2
• 化学式: C₁₄H₁₁F₃N₂
• 分子量: 264.25
• InChiKey: MUYSETLMOWBMKJ-VXLYETTFSA-N

物化性质

• 熔点：
  72-74 °C
• 沸点：
  326.5±42.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.24
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  25.25
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N-[1-(4-pyridyl)ethylidene]-2-(trifluoromethyl)aniline 、 N,N-二甲基-N'-乙基乙二胺 在 正丁基锂 作用下， 生成 N-[2-(dimethylamino)ethyl]-N-ethyl-2-(4-pyridyl)quinolin-4-amine
  参考文献：
  名称：

  Synthesis and quantitative structure-activity relationship analysis of 2-(aryl or heteroaryl)quinolin-4-amines, a new class of anti-HIV-1 agents

  摘要：

  Thirty-eight 2-(aryl or heteroaryl)quinolin-4-amines, N,N-disubstituted, N-monosubstituted, and without a substituent at the amino group have been synthesized with use of novel chemistries developed by us recently. Some of these derivatives show anti-HIV-1 activity at a concentration level of 1-mu-M and low cell toxicity in vitro. The most active and least toxic compounds are derivatives of 2-(3-pyridyl)quinoline. The results of the quantitative structure-activity relationship analyses, including several classical, linear regression correlations and a Free-Wilson approach, of de novo model, provide guidelines for the design of new active compounds of this class.

  DOI：

  10.1021/jm00109a031
• 作为产物：
  描述：

  4-乙酰吡啶 、 邻氨基三氟甲苯 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 10.0h， 以84%的产率得到N-[1-(4-pyridyl)ethylidene]-2-(trifluoromethyl)aniline
  参考文献：
  名称：

  Synthesis and quantitative structure-activity relationship analysis of 2-(aryl or heteroaryl)quinolin-4-amines, a new class of anti-HIV-1 agents

  摘要：

  Thirty-eight 2-(aryl or heteroaryl)quinolin-4-amines, N,N-disubstituted, N-monosubstituted, and without a substituent at the amino group have been synthesized with use of novel chemistries developed by us recently. Some of these derivatives show anti-HIV-1 activity at a concentration level of 1-mu-M and low cell toxicity in vitro. The most active and least toxic compounds are derivatives of 2-(3-pyridyl)quinoline. The results of the quantitative structure-activity relationship analyses, including several classical, linear regression correlations and a Free-Wilson approach, of de novo model, provide guidelines for the design of new active compounds of this class.

  DOI：

  10.1021/jm00109a031

文献信息

• Cosmetic and personal care compositions
  申请人：Unilever Home & Personal Care USA, Division of Conopco, Inc.

  公开号：US20020176834A1

  公开（公告）日：2002-11-28

  Cosmetic or personal care compositions comprise: a hair styling polymer having one or more groups selected from acidic functional groups, anionic groups derived from the acidic functional groups or a mixture of said groups; a partially or fully fluorinated compound having one or more groups selected from amino groups, acid salts of the amino groups or a mixture of said groups, wherein the partially or fully fluorinated compound comprises an aromatic ring; and a cosmetically acceptable diluent or carrier. The compositions are particularly effective under high humidity conditions.

  化妆品或个人护理组合物包括：具有一个或多个基团的头发定型聚合物，这些基团选自酸性官能团、酸性官能团衍生的阴离子基团或上述基团的混合物；具有一个或多个基团的部分或完全氟化化合物，这些基团选自氨基基团、氨基基团的酸式盐或上述基团的混合物，其中部分或完全氟化化合物包含一个芳香环；以及化妆品可接受的稀释剂或载体。这些组合物在高湿度条件下尤其有效。
• STREKOWSKI, LUCJAN;MOKROSZ, JERZY L.;HONKAN, VIDYA A.;CZARNY, AGNIESZKA;C+, J. MED. CHEM., 34,(1991) N, C. 1739-1746
  作者：STREKOWSKI, LUCJAN、MOKROSZ, JERZY L.、HONKAN, VIDYA A.、CZARNY, AGNIESZKA、C+

  DOI：——

  日期：——
• US6653353B2
  申请人：——

  公开号：US6653353B2

  公开（公告）日：2003-11-25
• Synthesis and quantitative structure-activity relationship analysis of 2-(aryl or heteroaryl)quinolin-4-amines, a new class of anti-HIV-1 agents
  作者：Lucjan Strekowski、Jerzy L. Mokrosz、Vidya A. Honkan、Agnieszka Czarny、Marek T. Cegla、Roman L. Wydra、Steven E. Patterson、Raymond F. Schinazi

  DOI：10.1021/jm00109a031

  日期：1991.5

  Thirty-eight 2-(aryl or heteroaryl)quinolin-4-amines, N,N-disubstituted, N-monosubstituted, and without a substituent at the amino group have been synthesized with use of novel chemistries developed by us recently. Some of these derivatives show anti-HIV-1 activity at a concentration level of 1-mu-M and low cell toxicity in vitro. The most active and least toxic compounds are derivatives of 2-(3-pyridyl)quinoline. The results of the quantitative structure-activity relationship analyses, including several classical, linear regression correlations and a Free-Wilson approach, of de novo model, provide guidelines for the design of new active compounds of this class.