2-(4-Chloro-3-fluorophenyl)-2-trimethylsilyloxyacetonitrile | 1248101-41-8

• 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: 2-(4-Chloro-3-fluorophenyl)-2-trimethylsilyloxyacetonitrile
• CAS: 1248101-41-8
• 化学式: C₁₁H₁₃ClFNOSi
• 分子量: 257.767
• InChiKey: BMTJXYAPOHCALP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-Chloro-3-fluorophenyl)-2-trimethylsilyloxyacetonitrile 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-Amino-1-(4-chloro-3-fluorophenyl)ethan-1-ol
  参考文献：
  名称：

  1-Aryl-2-((6-aryl)pyrimidin-4-yl)amino)ethanols as competitive inhibitors of fatty acid amide hydrolase

  摘要：

  A series of 1-aryl-2-(((6-aryl)pyrimidin-4-yl)amino)ethanols have been found to be competitive inhibitors of fatty acid amide hydrolase (FAAH). One member of this class, JNJ-40413269, was found to have excellent pharmacokinetic properties, demonstrated robust central target engagement, and was efficacious in a rat model of neuropathic pain. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.064
• 作为产物：
  描述：

  三甲基氰硅烷 、 4-氯-3-氟苯甲醛 在 zinc(II) iodide 作用下， 以 neat (no solvent) 为溶剂， 生成 2-(4-Chloro-3-fluorophenyl)-2-trimethylsilyloxyacetonitrile
  参考文献：
  名称：

  1-Aryl-2-((6-aryl)pyrimidin-4-yl)amino)ethanols as competitive inhibitors of fatty acid amide hydrolase

  摘要：

  A series of 1-aryl-2-(((6-aryl)pyrimidin-4-yl)amino)ethanols have been found to be competitive inhibitors of fatty acid amide hydrolase (FAAH). One member of this class, JNJ-40413269, was found to have excellent pharmacokinetic properties, demonstrated robust central target engagement, and was efficacious in a rat model of neuropathic pain. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.064