N-2-bromoethyl-canthin-6-one bromide | 871131-75-8

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吲哚萘啶生物碱
• 英文名称: N-2-bromoethyl-canthin-6-one bromide
• 英文别名: 6-(2-Bromoethyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-6-ium-2-one;bromide
• CAS: 871131-75-8
• 化学式: Br*C₁₆H₁₂BrN₂O
• 分子量: 408.092
• InChiKey: UBCCHWNPPQOICI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.27
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  25.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  铁屎米酮 、 1,2-二溴乙烷 反应 48.0h， 以50%的产率得到N-2-bromoethyl-canthin-6-one bromide
  参考文献：
  名称：

  Extraction, Hemisynthesis, and Synthesis of Canthin-6-one Analogues. Evaluation of Their Antifungal Activities

  摘要：

  Zanthoxylum chiloperone var. angustifolium was investigated. Alkaloids 1-3 from the canthin-6-one series were characterized. Derivatives 7-28 were prepared by hemisynthesis or total synthesis. All compounds were tested for in vitro antifungal activities against five pathogenic fungal strains. Analogues of canthin-6-one did not show better antifungal activities.

  DOI：

  10.1021/np050250z

文献信息

• Extraction, Hemisynthesis, and Synthesis of Canthin-6-one Analogues. Evaluation of Their Antifungal Activities
  作者：Flor Soriano-Agatón、Delphine Lagoutte、Erwan Poupon、François Roblot、Alain Fournet、Jean-Charles Gantier、Reynald Hocquemiller

  DOI：10.1021/np050250z

  日期：2005.11.1

  Zanthoxylum chiloperone var. angustifolium was investigated. Alkaloids 1-3 from the canthin-6-one series were characterized. Derivatives 7-28 were prepared by hemisynthesis or total synthesis. All compounds were tested for in vitro antifungal activities against five pathogenic fungal strains. Analogues of canthin-6-one did not show better antifungal activities.