9-(4-bromophenyl)-2-hydroxy-6,6-dimethyl-3-undecyl-5,6,7,9-tetrahydroxanthene-1,4,8-trione | 1448168-24-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 9-(4-bromophenyl)-2-hydroxy-6,6-dimethyl-3-undecyl-5,6,7,9-tetrahydroxanthene-1,4,8-trione
• 英文别名: 9-(4-bromophenyl)-2-hydroxy-6,6-dimethyl-3-undecyl-7,9-dihydro-5H-xanthene-1,4,8-trione
• CAS: 1448168-24-8
• 化学式: C₃₂H₃₉BrO₅
• 分子量: 583.563
• InChiKey: LBWTXKYFWYKEBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  恩贝酸/恩贝灵 、 3-(二甲氨基)-5,5-二甲基-2-环己烯-1-酮 、 对溴苯甲醛 以 甲苯 为溶剂， 反应 8.0h， 以75%的产率得到9-(4-bromophenyl)-2-hydroxy-6,6-dimethyl-3-undecyl-5,6,7,9-tetrahydroxanthene-1,4,8-trione
  参考文献：
  名称：

  Multicomponent Synthesis of Antibacterial Dihydropyridin and Dihydropyran Embelin Derivatives

  摘要：

  A series of dihydropyran and dihydropyridin embelin derivatives were synthesized through a novel and straightforward one-pot protocol based on a three-component reaction with embelin, aldehydes, and cyclic enaminones as synthetic imputs. The type of substituent on the nitrogen atom of the beta-enaminone is key to obtain nitrogenated or oxygenated rings. The obtained compounds were active against Gram-positive bacteria, including multiresistant Staphylococcus aureus clinical isolates.

  DOI：

  10.1021/jo401189x

文献信息

• Multicomponent Synthesis of Antibacterial Dihydropyridin and Dihydropyran Embelin Derivatives
  作者：Rosalyn Peña、Sandra Jiménez-Alonso、Gabriela Feresin、Alejandro Tapia、Sebastián Méndez-Alvarez、Félix Machín、Ángel G. Ravelo、Ana Estévez-Braun

  DOI：10.1021/jo401189x

  日期：2013.8.16

  A series of dihydropyran and dihydropyridin embelin derivatives were synthesized through a novel and straightforward one-pot protocol based on a three-component reaction with embelin, aldehydes, and cyclic enaminones as synthetic imputs. The type of substituent on the nitrogen atom of the beta-enaminone is key to obtain nitrogenated or oxygenated rings. The obtained compounds were active against Gram-positive bacteria, including multiresistant Staphylococcus aureus clinical isolates.