S-phenyl 2-chloro-2-oxoethanethioate | 215245-36-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚酯
• 英文名称: S-phenyl 2-chloro-2-oxoethanethioate
• CAS: 215245-36-6
• 化学式: C₈H₅ClO₂S
• 分子量: 200.645
• InChiKey: NOWROHUAUVZTLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-phenyl 2-chloro-2-oxoethanethioate 在 aluminum (III) chloride 、 ammonium hydroxide 、 双氧水 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 生成 1,2-苯并异噻唑-3-羧胺
  参考文献：
  名称：

  EP3456711

  摘要：

  公开号：
• 作为产物：
  描述：

  草酰氯 、 苯基硫三甲基硅烷 以 氯仿 为溶剂， 反应 1.0h， 以89%的产率得到S-phenyl 2-chloro-2-oxoethanethioate
  参考文献：
  名称：

  Preparation ofS-Alkyl andS-Aryl Thiocarboxylates from Acyl Chlorides and Trimethylsilyl Thioethers

  摘要：

  DOI：

  10.1055/s-1981-29522

文献信息

• Free radical-mediated carboxylation by radical reaction of alkyl iodides with methyl oxalyl chloride
  作者：Sunggak Kim、Sang Yong Jon

  DOI：10.1016/s0040-4039(98)01568-8

  日期：1998.10

  Free radical-mediated carboxylation is achieved by treatment of alkyl iodides with methyl oxalyl chloride and bis(tributyltin) in benzene at 350 nm to afford the corresponding acid chlorides as a major product along with a small amount of the methyl esters.

  自由基介导的羧化反应是通过在350 nm下用甲基乙二酰氯和双（三丁基锡）在苯中处理烷基碘化物而得到的，作为主要产物的相应酰氯以及少量甲酯。
• CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF
  申请人：Chia Tai Tianqing Pharmaceutical Group Co., Ltd.

  公开号：EP3456711A1

  公开（公告）日：2019-03-20

  Disclosed are a class of compounds as a caspase inhibitor, and in particular the compound as shown in formula (I) or a pharmaceutically acceptable salt thereof, and the use of the compound in treating caspase-related diseases.

  公开了一类作为 Caspase 抑制剂的化合物，特别是如式（I）所示的化合物或其药学上可接受的盐，以及该化合物在治疗 Caspase 相关疾病中的用途。
• Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof
  申请人：Chia Tai Tianqing Pharmaceutical Group Co., Ltd.

  公开号：US10981860B2

  公开（公告）日：2021-04-20

  Disclosed are a class of compounds as a caspase inhibitor, and in particular the compound as shown in formula (I) or a pharmaceutically acceptable salt thereof, and the use of the compound in treating caspase-related diseases.

  公开了一类作为 Caspase 抑制剂的化合物，特别是如式（I）所示的化合物或其药学上可接受的盐，以及该化合物在治疗 Caspase 相关疾病中的用途。
• WO2008/81399
  申请人：——

  公开号：——

  公开（公告）日：——
• Benzisoxazole- and Benzisothiazole-3-carboxamides as Potential Atypical Antipsychotic Agents
  作者：Nicholas J. Hrib、John G. Jurcak、Kendra L. Burgher、Paul G. Conway、Harold B. Hartman、Lisa L. Kerman、Joachim E. Roehr、Ann T. Woods

  DOI：10.1021/jm00041a009

  日期：1994.7

  A series of benzisoxazole- and benzisothiazole-3-carboxamides has been prepared and tested for potential antipsychotic activity. In general, the compounds showed an affinity for dopamine D-2 and serotonin 5HT(2A) and 5HT(1A) receptors. Several Members of this series have demonstrated activity in animal models predictive of potential antipsychotic activity. In addition, compounds 18, 19, 22, 27, 28, 43, and 44 have also shown a potential for reduced EPS liability as suggested by the ratio of activity seen in mesolimbic-mediated vs nigrostriatal-mediated behavioral assays.