(4-氯苯基)(2,2-二甲氧基乙基)硫烷 | 118743-10-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: (4-氯苯基)(2,2-二甲氧基乙基)硫烷
• 英文名称: (4-chlorophenyl)(2,2-dimethoxyethyl)sulfane
• 英文别名: 1-chloro-4-(2,2-dimethoxyethylsulfanyl)benzene
• CAS: 118743-10-5
• 化学式: C₁₀H₁₃ClO₂S
• 分子量: 232.731
• InChiKey: HGHXSASHYCILOM-UHFFFAOYSA-N

物化性质

• 沸点：
  155 °C(Press: 12 Torr)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  43.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-氯苯基)(2,2-二甲氧基乙基)硫烷 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 溶剂黄146 、 氯苯 为溶剂， 反应 0.67h， 生成 5-chloro-2-methylbenzo[b]thiophene
  参考文献：
  名称：

  In vivo phenotypic drug discovery: applying a behavioral assay to the discovery and optimization of novel antipsychotic agents

  摘要：

  一种基于老鼠的检测方法（SmartCube）被用于一种新型抗精神病药物的筛选和首选优化。

  DOI：

  10.1039/c6md00128a
• 作为产物：
  描述：

  2-溴-1,1-二甲氧基乙烷 、 4-氯苯硫酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以84%的产率得到(4-氯苯基)(2,2-二甲氧基乙基)硫烷
  参考文献：
  名称：

  In vivo phenotypic drug discovery: applying a behavioral assay to the discovery and optimization of novel antipsychotic agents

  摘要：

  一种基于老鼠的检测方法（SmartCube）被用于一种新型抗精神病药物的筛选和首选优化。

  DOI：

  10.1039/c6md00128a

文献信息

• [EN] HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS HÉTÉROARYLES ET PROCÉDÉ D'UTILISATION CORRESPONDANT
  申请人：SUNOVION PHARMACEUTICALS INC

  公开号：WO2013119895A1

  公开（公告）日：2013-08-15

  Provided herein are thiophene compounds, methods of their synthesis, pharmaceutical compositions comprising the compounds, and methods of their use. The compounds provided herein are useful for the treatment, prevention, and/or management of various neurological disorders, including but not limited to, psychosis and schizophrenia.

  本文提供了噻吩化合物，其合成方法，包含这些化合物的药物组合物，以及它们的使用方法。本文提供的化合物可用于治疗、预防和/或管理各种神经系统疾病，包括但不限于精神病和精神分裂症。
• Thio-substituted biaryl-methanesulfinyl derivatives
  申请人：Bacon R. Edward

  公开号：US20050245747A1

  公开（公告）日：2005-11-03

  The present invention is related to chemical compositions, processes for the preparation thereof and uses of the composition. Particularly, the present invention relates to compositions that include substituted biaryl-methanesulfinyl acetamides of Formula (I): wherein Ar, Y, R 1 , R 2 , R 4 , R 5 , q and x are as defined herein; and their use in the treatment of diseases, including treatment of sleepiness associated with narcolepsy, obstructive sleep apnea, or shift work disorder; Parkinson's disease; Alzheimer's disease; attention deficit disorder; attention deficit hyperactivity disorder; depression; or fatigue associated with a neurological disease; as well as the promotion of wakefulness.

  本发明涉及化学组合物，其制备过程和组合物的用途。特别是，本发明涉及包括式（I）的取代双芳基甲烷磺酰基乙酰胺的组合物： 其中，Ar，Y，R1，R2，R4，R5，q和x如本文所定义的；以及它们在治疗疾病方面的应用，包括治疗与嗜睡症、阻塞性睡眠呼吸暂停或倒班工作障碍有关的嗜睡症状，帕金森病，阿尔茨海默病，注意力缺陷障碍，注意力缺陷/多动障碍，抑郁症或与神经系统疾病有关的疲劳，以及促进清醒。
• Thio-Substituted Biarylmethanesulfinyl Derivatives
  申请人：Bacon Edward R.

  公开号：US20090062284A1

  公开（公告）日：2009-03-05

  The present invention is related to chemical compositions, processes for the preparation thereof and uses of the composition. Particularly, the present invention relates to compositions that include substituted biaryl-methanesulfinyl acetamides of Formula (I): wherein Ar, Y, R 1 , R 2 , R 4 , R 5 , q and x are as defined herein; and their use in the treatment of diseases, including treatment of sleepiness associated with narcolepsy, obstructive sleep apnea, or shift work disorder; Parkinson's disease; Alzheimer's disease; attention deficit disorder; attention deficit hyperactivity disorder; depression; or fatigue associated with a neurological disease; as well as the promotion of wakefulness.

  本发明涉及化学成分、其制备过程和成分的用途。特别地，本发明涉及包括式(I)中的取代的双芳基甲烷磺酰乙酰胺的组合物：其中Ar、Y、R1、R2、R4、R5、q和x如本文中所定义的；以及它们在治疗疾病中的应用，包括治疗与纳考雷普西、阻塞性睡眠呼吸暂停或轮班工作障碍相关的嗜睡症；帕金森病；阿尔茨海默病；注意力缺陷障碍；注意力缺陷多动障碍；抑郁症；或与神经疾病相关的疲劳，以及促进清醒。
• Thio-substituted biarylmethanesulfinyl derivatives
  申请人：Cephalon, Inc.

  公开号：US07981907B2

  公开（公告）日：2011-07-19

  The present invention is related to chemical compositions, processes for the preparation thereof and uses of the composition. Particularly, the present invention relates to compositions that include substituted biaryl-methanesulfinyl acetamides of Formula (I): wherein Ar, Y, R1, R2, R4, R5, q and x are as defined herein; and their use in the treatment of diseases, including treatment of sleepiness associated with narcolepsy, obstructive sleep apnea, or shift work disorder; Parkinson's disease; Alzheimer's disease; attention deficit disorder; attention deficit hyperactivity disorder; depression; or fatigue associated with a neurological disease; as well as the promotion of wakefulness.

  本发明涉及化学组合物，其制备方法和组合物的用途。特别地，本发明涉及包括式（I）中的取代双芳基甲烷基磺酰乙酰胺的组合物： 其中Ar，Y，R1，R2，R4，R5，q和x如本文所定义；以及它们在治疗疾病中的应用，包括治疗与嗜睡症、阻塞性睡眠呼吸暂停或轮班工作障碍相关的嗜睡症、帕金森病、阿尔茨海默病、注意力缺陷障碍、注意力缺陷多动障碍、抑郁症或神经疾病相关的疲劳，以及促进清醒。
• Heteroaryl Compounds and Methods of Use Thereof
  申请人：Sunovion Pharmaceuticals, Inc.

  公开号：US20150031709A1

  公开（公告）日：2015-01-29

  Provided herein are thiophene compounds, methods of their synthesis, pharmaceutical compositions comprising the compounds, and methods of their use. The compounds provided herein are useful for the treatment, prevention, and/or management of various neurological disorders, including but not limited to, psychosis and schizophrenia.

  本文提供了噻吩化合物、它们的合成方法、包含这些化合物的药物组合物以及使用这些化合物的方法。这些化合物对于治疗、预防和/或管理各种神经系统疾病，包括但不限于精神病和精神分裂症，具有实用性。