hexahydrobenzo[d][1,3]oxathiole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧硫杂环戊烷
• 英文名称: hexahydrobenzo[d][1,3]oxathiole
• 英文别名: 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]oxathiole
• 化学式: C₇H₁₂OS
• 分子量: 144.238
• InChiKey: OFDDLSDBCWEDEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  硝基甲烷 、 氧化环己烯 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 silver(I) acetate 作用下， 以 水 为溶剂， 反应 16.0h， 以97%的产率得到hexahydrobenzo[d][1,3]oxathiole
  参考文献：
  名称：

  硝基烷烃，元素硫和环氧乙烷之间的催化多组分反应

  摘要：

  摘要借助银盐开发了硝基烷烃和元素硫与环氧乙烷的有效多组分反应。该反应过程为快速组装1,3-氧杂硫杂环戊烷骨架提供了一种新颖而实用的策略。该反应显示出显着的官能团耐受性和区域选择性，因此在环氧乙烷的开环过程中仅形成一种区域异构体。 图形概要

  DOI：

  10.1007/s00706-017-2067-9

文献信息

• SUBSTITUTED CYCLOALKENE DERIVATIVE
  申请人：Kimura Tomio

  公开号：US20090233952A1

  公开（公告）日：2009-09-17

  [Object] To provide a substituted cycloalkene derivative having an action to suppress intracellular signal transduction or cell activation induced by endotoxin and to suppress cell responses due to the intracellular signal transduction and cell activation such as an excess generation of inflammatory mediators such as TNF-α, pharmacologically acceptable salts therefor, a medicament containing them as an active ingredient, a preparation method therefor, and a medicament containing the aforementioned substituted cycloalkene derivative as an active ingredient which is superior in prophylaxis and/or treatment of diseases such as sepsis (septic shock, disseminated intravascular coagulation, multiple organ failure and the like), that are associated with intracellular signal transduction or cell activation induced by endotoxin and to cell responses to the intracellular signal transduction and cell activation. [Solution] A compound represented by the general formula (I): wherein X and Y represent a group in which X and Y together with a carbon atom to which they are bound form ring A (the ring is 3- to 7-membered heterocyclyl ring or 3- to 7-membered cycloalkyl ring), each represents a hydrogen atom, or X and Y together represent a substituent of ring B. l and m, independently from each other, represent an integer of 0 to 3, and l+m is 1 to 3. R 1 is an aliphatic hydrocarbon group and the like which may be substituted with a group selected from Substituent group β and Substituent group γ. n represents an integer of 0 to 3. R 2 is a C 1 -C 6 alkyl group and the like which may be substituted with a group selected from a hydrogen atom and Substituent group β. R 3 is a phenyl group, 5- to 6-membered heteroaryl group and the like which may be substituted with a group selected from Substituent group ε. R 5 is a C 1 -C 6 alkyl group and the like which may be substituted with a group selected from a hydrogen atom and Substituent group β. Provided that in the case where R 3 is a phenyl group which may be substituted with a group selected from Substituent group ε, X and Y represent a group in which X and Y together with a carbon atom to which they are bound form ring A, or X and Y together represent a substituent of ring B.

  [目的] 提供一种替代环烯烃衍生物，具有抑制内毒素诱导的细胞内信号传导或细胞活化并抑制细胞对细胞内信号传导和细胞活化的反应，例如过量生成TNF-α等炎症介质，其药理学上可接受的盐，包含其作为活性成分的药物，其制备方法以及含有上述替代环烯烃衍生物作为活性成分的药物，其在预防和/或治疗与内毒素诱导的细胞内信号传导或细胞活化以及对细胞内信号传导和细胞活化的反应有关的疾病，例如败血症（败血性休克，弥漫性血管内凝血，多器官衰竭等）方面具有优越性。 [解决方案] 一种由通式（I）表示的化合物：其中，X和Y表示与它们结合的碳原子形成环A（环为3-至7成员的杂环或3-至7成员的环烷基环）的基团，每个表示氢原子，或X和Y一起表示环B的取代基。l和m，独立地，表示0至3的整数，且l+m为1至3。R1是脂肪烃基等，可以被从取代基组β和取代基组γ中选择的基团取代。n表示0至3的整数。R2是C1-C6烷基等，可以被从氢原子和取代基组β中选择的基团取代。R3是苯基，5-至6成员的杂环基等，可以被从取代基组ε中选择的基团取代。R5是C1-C6烷基等，可以被从氢原子和取代基组β中选择的基团取代。但在R3是苯基且可以被从取代基组ε中选择的基团取代的情况下，X和Y表示与它们结合的碳原子形成环A的基团，或X和Y一起表示环B的取代基。
• US7935835B2
  申请人：——

  公开号：US7935835B2

  公开（公告）日：2011-05-03
• USRE43858E1
  申请人：——

  公开号：USRE43858E1

  公开（公告）日：2012-12-11