5-thioethyl-5-dibenzosuberenecarboxylic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 5-thioethyl-5-dibenzosuberenecarboxylic acid
• 英文别名: 2-Ethylsulfanyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
• 化学式: C₁₈H₁₆O₂S
• 分子量: 296.39
• InChiKey: DMQBPNDVGJDDMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5H-二苯并[a,d]环庚烯 在 potassium tert-butylate 、 lithium diisopropyl amide 作用下， 反应 3.0h， 生成 5-thioethyl-5-dibenzosuberenecarboxylic acid
  参考文献：
  名称：

  A short synthesis of rigid 2-alkylthio-2,2-diaryl substituted acetic acids

  摘要：

  The metalation of rigid diphenyl methane derivatives has been studied, aiming at the synthesis of 2-alkylthio-2,2-diaryl substituted acetic acids esters, a class of compounds with a potential antimuscarinic activity. Mixed metal bases have shown to be necessary in order to obtain the desired compounds with a good regiocontrol. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(97)10434-3

文献信息

• A short synthesis of rigid 2-alkylthio-2,2-diaryl substituted acetic acids
  作者：Fulvio Gualtieri、Alessandro Mordini、Sabina Pecchi、Serena Scapecchi

  DOI：10.1016/s0040-4020(97)10434-3

  日期：1998.3

  The metalation of rigid diphenyl methane derivatives has been studied, aiming at the synthesis of 2-alkylthio-2,2-diaryl substituted acetic acids esters, a class of compounds with a potential antimuscarinic activity. Mixed metal bases have shown to be necessary in order to obtain the desired compounds with a good regiocontrol. (C) 1998 Elsevier Science Ltd. All rights reserved.