potassium 4-bromophenylglucosinolate | 1454839-47-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: potassium 4-bromophenylglucosinolate
• 英文别名: potassium;[(Z)-[(4-bromophenyl)-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylmethylidene]amino] sulfate
• CAS: 1454839-47-4
• 化学式: C₁₃H₁₅BrNO₉S₂*K
• 分子量: 512.398
• InChiKey: FVLJONOURRNCLM-FQEOMGPZSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.88
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  203
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  4-bromobenzaldehyde oxime 在 N-氯代丁二酰亚胺 、 potassium methanolate 、 三氧化硫吡啶 、 三乙胺 作用下， 以 甲醇 、 乙醚 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.5h， 生成 potassium 4-bromophenylglucosinolate
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of aromatic glucosinolates

  摘要：

  Aromatic GLs are important members of the glucosinolate family of compounds because of their potential biological activity and medicinal properties. This study has shown success in the high yielding synthesis of some important aromatic GLs as well as the results of testing for anti-inflammatory properties of the synthetic GLs. 3,4-Dimethoxyphenylglucosinolate was found to be the most active anti-inflammatory of the seven glucosinolates assayed. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.07.049

文献信息

• Synthesis and anti-inflammatory activity of aromatic glucosinolates
  作者：Quan V. Vo、Craige Trenerry、Simone Rochfort、Jenny Wadeson、Carolina Leyton、Andrew B. Hughes

  DOI：10.1016/j.bmc.2013.07.049

  日期：2013.10

  Aromatic GLs are important members of the glucosinolate family of compounds because of their potential biological activity and medicinal properties. This study has shown success in the high yielding synthesis of some important aromatic GLs as well as the results of testing for anti-inflammatory properties of the synthetic GLs. 3,4-Dimethoxyphenylglucosinolate was found to be the most active anti-inflammatory of the seven glucosinolates assayed. (C) 2013 Elsevier Ltd. All rights reserved.