4-[2-(4-fluorophenyl)-1,1-dimethoxyethyl]pyridine | 153254-91-2

• 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: 4-[2-(4-fluorophenyl)-1,1-dimethoxyethyl]pyridine
• 英文别名: 4-[2-(4-Fluoro-phenyl)-1,1-dimethoxy-ethyl]-pyridine
• CAS: 153254-91-2
• 化学式: C₁₅H₁₆FNO₂
• 分子量: 261.296
• InChiKey: KCSNDYSGDIJEPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[2-(4-fluorophenyl)-1,1-dimethoxyethyl]pyridine 在 甲酸 作用下， 反应 1.5h， 以96%的产率得到2-(4-氟-苯基)-1-吡啶-4-乙酮
  参考文献：
  名称：

  4-二甲氧基甲基吡啶的阴离子。一些 4-吡啶基酮的便捷合成 一些 4-吡啶基酮的便捷合成

  摘要：

  摘要 -78°C 下的正丁基锂从 4-二甲氧基甲基吡啶中提取次甲基质子。阴离子与亲电子试剂有效反应。简单的缩酮产物可以很容易地水解成 4-吡啶基酮。

  DOI：

  10.1080/00397919308009855
• 作为产物：
  描述：

  4-吡啶甲醛 在 正丁基锂 、 硫酸 作用下， 以 甲醇 为溶剂， 反应 22.25h， 生成 4-[2-(4-fluorophenyl)-1,1-dimethoxyethyl]pyridine
  参考文献：
  名称：

  4-二甲氧基甲基吡啶的阴离子。一些 4-吡啶基酮的便捷合成 一些 4-吡啶基酮的便捷合成

  摘要：

  摘要 -78°C 下的正丁基锂从 4-二甲氧基甲基吡啶中提取次甲基质子。阴离子与亲电子试剂有效反应。简单的缩酮产物可以很容易地水解成 4-吡啶基酮。

  DOI：

  10.1080/00397919308009855

文献信息

• 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES
  申请人：Selles Patrice

  公开号：US20100184598A1

  公开（公告）日：2010-07-22

  The present invention relates to a method of preventing and/or controlling fungal infection in plants and/or plant propagation material comprising applying to the plant or plant propagation material a fungicidally effective amount of a compound of formula (I) or a salt of N-oxide thereof. In addition, the present invention also relates to a compound of formula (I).

  本发明涉及一种防止和/或控制植物和/或植物繁殖材料真菌感染的方法，包括向植物或植物繁殖材料施加化合物(I)或其N-氧化物盐的杀菌有效量。此外，本发明还涉及化合物(I)的一种。
• 4-aza indole derivatives and their use as fungicides
  申请人：Syngenta Crop Protection, Inc.

  公开号：US08084395B2

  公开（公告）日：2011-12-27

  The present invention relates to a method of preventing and/or controlling fungal infection in plants and/or plant propagation material comprising applying to the plant or plant propagation material a fungicidally effective amount of a compound of formula (I) or a salt of N-oxide thereof. In addition, the present invention also relates to a compound of formula (I).

  本发明涉及一种防止和/或控制植物和/或植物繁殖材料真菌感染的方法，包括向植物或植物繁殖材料施加化合物(I)或其N-氧化物盐的杀菌有效量。此外，本发明还涉及化合物(I)的一种。
• Process for the preparation of tetrasubstituted imidazole derivatives and novel crystalline structures thereof
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1508569A2

  公开（公告）日：2005-02-23

  The present invention relates to a process for preparing tetrasubstituted imidazole derivatives of the general formula (I) wherein R1, R2, R3 and R4 are as defined in the specification. The present invention further relates to a process for preparing the compound of formula (II) and novel crystalline structures of the compound of formula (II).

  本发明涉及一种制备通式(I)的四取代咪唑衍生物的工艺，其中R1、R2、R3和R4如说明书中所定义。本发明进一步涉及一种制备式（II）化合物和式（II）化合物的新型结晶结构的工艺。
• Process for the preparation of tetrasubstituted imidazole derivatives and novel crystaline structures thereof
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1506966A2

  公开（公告）日：2005-02-16

  The present invention relates to a process for preparing tetrasubstituted imidazole derivatives of the general formula (I) wherein R1, R2, R3 and R4 are as defined in the specification. The present invention further relates to a process for preparing the compound of formula (II) and novel crystalline structures of the compound of formula (II).

  本发明涉及一种制备通式(I)的四取代咪唑衍生物的工艺，其中R1、R2、R3和R4如说明书中所定义。本发明进一步涉及一种制备式（II）化合物和式（II）化合物的新型结晶结构的工艺。
• Design and Synthesis of 4-Azaindoles as Inhibitors of p38 MAP Kinase
  作者：Alejandra Trejo、Humberto Arzeno、Michelle Browner、Sushmita Chanda、Soan Cheng、Daniel D. Comer、Stacie A. Dalrymple、Pete Dunten、JoAnn Lafargue、Brett Lovejoy、Jose Freire-Moar、Julie Lim、Joel Mcintosh、Jennifer Miller、Eva Papp、Deborah Reuter、Rick Roberts、Florentino Sanpablo、John Saunders、Kyung Song、Armando Villasenor、Stephen D. Warren、Mary Welch、Paul Weller、Phyllis E. Whiteley、Lu Zeng、David M. Goldstein

  DOI：10.1021/jm0301787

  日期：2003.10.1

  Inhibition of the biosynthesis of proinflammatory cytokines such as tumor necrosis factor and interleukin-1 via p38 has been an approach toward the development of a disease modifying agent for the treatment of chronic inflammation and autoimmune diseases. The development of a new core structure of p38 inhibitors, 3-(4-fluorophenyl)-2-(pyridin-4-yl)-1H-pyrrolo[3,2-b] pyridine, is described. X-ray crystallographic data of the lead bound to the active site of p38 was used to guide the optimization of the series. Specific focus was placed on modulating the physical properties of the core while maintaining potent inhibition of p38. These efforts identified 42c as a potent inhibitor of p38, which also possessed the required physical properties worthy of advanced studies.