1-(4-Fluoro-3-morpholin-4-yl-phenyl)-ethanone | 519137-75-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-Fluoro-3-morpholin-4-yl-phenyl)-ethanone
• 英文别名: 1-[4-Fluoro-3-(morpholin-4-yl)phenyl]ethan-1-one；1-(4-fluoro-3-morpholin-4-ylphenyl)ethanone
• CAS: 519137-75-8
• 化学式: C₁₂H₁₄FNO₂
• 分子量: 223.247
• InChiKey: SXXJWWINIVCRQT-UHFFFAOYSA-N

物化性质

• 沸点：
  376.8±42.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-Fluoro-3-morpholin-4-yl-phenyl)-ethanone 在 palladium on activated charcoal 、 Ra-Ni 氢气 、 甲酸铵 、 四氯化钛 、 三乙胺 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 14.0h， 生成 (S)-1-(4-fluoro-3-morpholin-4-yl-phenyl)ethylamine
  参考文献：
  名称：

  Synthesis of fluorinated 1-(3-Morpholin-4-yl-phenyl)-Ethylamines

  摘要：

  The synthesis of four (+/-)-fluorinated 1-(3-morpholin-4-yl-phenyl)-ethylamines and an enantioselective approach to these amines through reductive amination are described. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00240-3
• 作为产物：
  描述：

  吗啉 、 3-溴-4-氟苯甲酮 在 palladium diacetate 、 caesium carbonate 、 2-(二叔丁基膦)联苯 作用下， 以 苯 为溶剂， 反应 17.0h， 以79%的产率得到1-(4-Fluoro-3-morpholin-4-yl-phenyl)-ethanone
  参考文献：
  名称：

  Synthesis of fluorinated 1-(3-Morpholin-4-yl-phenyl)-Ethylamines

  摘要：

  The synthesis of four (+/-)-fluorinated 1-(3-morpholin-4-yl-phenyl)-ethylamines and an enantioselective approach to these amines through reductive amination are described. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00240-3

文献信息

• Structure–activity relationship study of a novel necroptosis inhibitor, necrostatin-7
  作者：Weihong Zheng、Alexei Degterev、Emily Hsu、Junying Yuan、Chengye Yuan

  DOI：10.1016/j.bmcl.2008.08.058

  日期：2008.9

  Necroptosis is a regulated caspase-independent cell death mechanism characterized by morphological features resembling non-regulated necrosis. Necrotatin-7 (Nec-7), a novel potent small-molecule inhibitor of necroptosis, is structurally distinct from previously described necrostatins (Nec-1, Nec-3, Nec-4 and Nec-5). Here, we describe a series of structural modi. cations and the structure-activity relationship (SAR) of the Nec-7 series for inhibiting necroptosis. (C) 2008 Elsevier Ltd. All rights reserved.
• Palladium-catalyzed amination of 3-bromo-4-fluoro-acetophenone
  作者：Li-Qiang Sun、Huan He、Jie Chen、Yong-Jin Wu

  DOI：10.1016/s0040-4039(02)02384-5

  日期：2002.12

  The palladium-catalyzed amination of 3-bromo-4-fluoro-acetophenone was found to predominate over both the 4-fluoro nucleophilic substitution with amines and the palladium-catalyzed alpha-arylation of the acetyl group. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Synthesis of fluorinated 1-(3-Morpholin-4-yl-phenyl)-Ethylamines
  作者：Yong-Jin Wu、Huan He、Li-Qiang Sun、Dedong Wu、Qi Gao、Hui-Yin Li

  DOI：10.1016/s0960-894x(03)00240-3

  日期：2003.5

  The synthesis of four (+/-)-fluorinated 1-(3-morpholin-4-yl-phenyl)-ethylamines and an enantioselective approach to these amines through reductive amination are described. (C) 2003 Elsevier Science Ltd. All rights reserved.