S-(9-Fluorenyl)isothioharnstoff | 64850-99-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: S-(9-Fluorenyl)isothioharnstoff
• 英文别名: Carbamimidothioic acid, 9H-fluoren-9-yl ester；9H-fluoren-9-yl carbamimidothioate
• CAS: 64850-99-3
• 化学式: C₁₄H₁₂N₂S
• 分子量: 240.329
• InChiKey: ILMBCGHKQSQDFK-UHFFFAOYSA-N

物化性质

• 沸点：
  428.9±55.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  75.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  S-(9-Fluorenyl)isothioharnstoff 在 sodium hydroxide 作用下， 反应 1.0h， 生成 9H-芴-9-硫醇
  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 、 硫脲 在 氢溴酸 作用下， 以 水 为溶剂， 反应 0.5h， 生成 S-(9-Fluorenyl)isothioharnstoff
  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

• Preparation and properties of some thiouronium fluorenylides and cyclopentadienylides and the attempted preparation of selenouronium and guanidinium fluorenylides
  作者：D. Lloyd、R.W. Millar、H. lumbroso、C. liégeois

  DOI：10.1016/0040-4020(77)84089-1

  日期：1977.1

  cyelopentadienylides, prepared by treatment of the corresponding thiouronium salts with non-aqueous base, exist as tautomeric mixtures of the fluorenylide and fluorenylisothiourea, but undergo reactions typical of ylides, e.g. Wittig reactions with aldehydes or nitrosobenzene; a 2,3,4-triphenylcyclopentadienylide gave anomalous products. The ylides also react with acids, alkali, benzyl bromide, and dimethylacetylene

  通过用非水碱处理相应的硫代铀鎓盐而制备的一些稳定的硫代铀鎓芴基和环戊二烯基化物以芴基和芴基异硫脲的互变异构体混合物形式存在，但是会经历典型的酰基化物反应，例如与醛或亚硝基苯的维蒂希反应；2,3,4-三苯基环戊二烯基化物产生异常产物。所述酰基化物还与酸，碱，苄基溴和二甲基乙炔二羧酸酯反应。N，N'-二苯基-硒代铀鎓和-胍鎓类似物似乎完全作为非碘化互变异构体存在。
• Gronski,P. et al., Chemische Berichte, 1977, vol. 110, p. 3689 - 3702
  作者：Gronski,P. et al.

  DOI：——

  日期：——
• Substituted thioacetamides
  申请人：Bacon R. Edward

  公开号：US20080027228A1

  公开（公告）日：2008-01-31

  The present invention is directed to chemical compositions of substituted thioacetamides, processes for the preparation thereof and uses of the compositions in the treatment of diseases.
• Tricyclic aromatic and bis-phenyl sulfinyl derivatives
  申请人：Bacon R. Edward

  公开号：US20080070956A1

  公开（公告）日：2008-03-20

  The present invention provides compounds of the structure: wherein the constituent members are defined herein, including pharmaceutical compositions thereof and methods of treating diseases therewith.
• US7268132B2
  申请人：——

  公开号：US7268132B2

  公开（公告）日：2007-09-11