(9H-fluoren-9-ylsulfanyl)acetic acid | 343349-96-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: (9H-fluoren-9-ylsulfanyl)acetic acid
• 英文别名: 2-(9H-fluoren-9-ylsulfanyl)acetic acid
• CAS: 343349-96-2
• 化学式: C₁₅H₁₂O₂S
• 分子量: 256.325
• InChiKey: YCPRNTBQVFDZHO-UHFFFAOYSA-N

物化性质

• 沸点：
  474.6±45.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (9H-fluoren-9-ylsulfanyl)acetic acid 在 N-甲基吗啉 、 N-羟基-7-氮杂苯并三氮唑 、 双氧水 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide
  参考文献：
  名称：

  Wake promoting agents: Search for next generation modafinil, lessons learned: Part III

  摘要：

  In searching for a next generation molecule to the novel wake promoting agent modafinil (compound 1), a series of fluorene-derived wakefulness enhancing agents were developed and evaluated in rat. Extensive pharmacokinetic studies of a potent member of the series (compound 15) revealed that the wake promotion activity of the analog was likely due to an active metabolite (compound 3). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.031
• 作为产物：
  描述：

  9-羟基芴 在 氢溴酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 3.5h， 生成 (9H-fluoren-9-ylsulfanyl)acetic acid
  参考文献：
  名称：

  Wake promoting agents: Search for next generation modafinil, lessons learned: Part III

  摘要：

  In searching for a next generation molecule to the novel wake promoting agent modafinil (compound 1), a series of fluorene-derived wakefulness enhancing agents were developed and evaluated in rat. Extensive pharmacokinetic studies of a potent member of the series (compound 15) revealed that the wake promotion activity of the analog was likely due to an active metabolite (compound 3). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.031

文献信息

• US5571825A
  申请人：——

  公开号：US5571825A

  公开（公告）日：1996-11-05
• Wake promoting agents: Search for next generation modafinil, lessons learned: Part III
  作者：Derek Dunn、Greg Hostetler、Mohamed Iqbal、Val R. Marcy、Yin Guo Lin、Bruce Jones、Lisa D. Aimone、John Gruner、Mark A. Ator、Edward R. Bacon、Sankar Chatterjee

  DOI：10.1016/j.bmcl.2012.04.031

  日期：2012.6

  In searching for a next generation molecule to the novel wake promoting agent modafinil (compound 1), a series of fluorene-derived wakefulness enhancing agents were developed and evaluated in rat. Extensive pharmacokinetic studies of a potent member of the series (compound 15) revealed that the wake promotion activity of the analog was likely due to an active metabolite (compound 3). (C) 2012 Elsevier Ltd. All rights reserved.