2-methylphenoxathiin 10,10-dioxide | 10318-49-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 2-methylphenoxathiin 10,10-dioxide
• 英文别名: 2-methyl-phenoxathiine-10,10-dioxide；2-Methyl-phenoxathiin-10,10-dioxid；2-Methylphenoxathiine 10,10-dioxide
• CAS: 10318-49-7
• 化学式: C₁₃H₁₀O₃S
• 分子量: 246.287
• InChiKey: CGHZXICFAQJQIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-methylphenoxathiin 在 双氧水 、 溶剂黄146 作用下， 生成 2-methylphenoxathiin 10,10-dioxide
  参考文献：
  名称：

  Phenoxthin. II. Extension of the Ferrario Reaction

  摘要：

  DOI：

  10.1021/ja01291a030

文献信息

• Preparation and X-ray structures of 2-[(aryl)iodonio]benzenesulfonates: novel diaryliodonium betaines
  作者：Michael W. Justik、John D. Protasiewicz、James B. Updegraff

  DOI：10.1016/j.tetlet.2009.08.067

  日期：2009.11

  Herein we present a concise preparation and characterization of 2-[(aryl)iodonio]benzenesulfonates. Determination of the X-ray crystal structure reveals a distorted trigonal bipyramidal molecular geometry about iodine and a pseudo-square geometry within the unit cell. Initial experiments point to the promising application of these compounds for unique 2-sulfonyloxyarenes. (C) 2009 Elsevier Ltd. All rights reserved.
• [EN] TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE<br/>[FR] COMPOSÉS TRYCICLIQUES ET UTILISATIONS DE CEUX-CI EN MÉDECINE
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2016127924A1

  公开（公告）日：2016-08-18

  The present invention relates to novel tricyclic compounds which can bind to FXR and act as modulators of the FXR, or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, and the uses of the compounds for the treatment of diseases and/or conditions mediated by FXR. The invention further provides a pharmaceutical composition containing the compound disclosed herein and a method of treatment of diseases and/or conditions mediated by FXR comprising administering the compound or the pharmaceutical composition.
• Phenoxthin. II. Extension of the Ferrario Reaction
  作者：C. M. Suter、Frank O. Green

  DOI：10.1021/ja01291a030

  日期：1937.12