5-[4-(4-Phenyl-5-trifluoromethyl-thiophen-2-ylmethoxy)-phenyl]-pyrrolidin-2-one | 899808-28-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 5-[4-(4-Phenyl-5-trifluoromethyl-thiophen-2-ylmethoxy)-phenyl]-pyrrolidin-2-one
• CAS: 899808-28-7
• 化学式: C₂₂H₁₈F₃NO₂S
• 分子量: 417.452
• InChiKey: WGBRMXORMKLMOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.96
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-[4-(4-Phenyl-5-trifluoromethyl-thiophen-2-ylmethoxy)-phenyl]-pyrrolidin-2-one 在 盐酸 、 4-二甲氨基吡啶 、 Meerwein's salt 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 生成 5-[4-(4-Phenyl-5-trifluoromethyl-thiophen-2-ylmethoxy)-phenyl]-pyrrolidine-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  2-Aryl(pyrrolidin-4-yl)acetic acids are potent agonists of sphingosine-1-phosphate (S1P) receptors

  摘要：

  A series of 2-aryl(pyrrolidin-4-yl)acetic acids were synthesized and their biological activities were evaluated as agonists of SIP receptors. These analogs were able to induce lowering of lymphocyte counts in the peripheral blood of mice and were found to have good overall pharmacokinetic properties in rat. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.090
• 作为产物：
  描述：

  2-(羟基甲基)-4-苯基-5-(三氟甲基)噻吩 在 四溴化碳 、 potassium carbonate 、 三苯基膦 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 5-[4-(4-Phenyl-5-trifluoromethyl-thiophen-2-ylmethoxy)-phenyl]-pyrrolidin-2-one
  参考文献：
  名称：

  2-Aryl(pyrrolidin-4-yl)acetic acids are potent agonists of sphingosine-1-phosphate (S1P) receptors

  摘要：

  A series of 2-aryl(pyrrolidin-4-yl)acetic acids were synthesized and their biological activities were evaluated as agonists of SIP receptors. These analogs were able to induce lowering of lymphocyte counts in the peripheral blood of mice and were found to have good overall pharmacokinetic properties in rat. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.090