2-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)benzoyl chloride | 871131-80-5

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: 2-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)benzoyl chloride
• CAS: 871131-80-5
• 化学式: C₁₈H₁₃ClN₂O
• 分子量: 308.767
• InChiKey: IDNLHQCWSFXKEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  45.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)benzoyl chloride 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以40 mg的产率得到8H-benzo[c]indolo[3,2,1-ij][1,5]naphthyridin-8-one
  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
• 作为产物：
  描述：

  2-[2-(1H-indol-3-yl)ethylcarbamoyl]benzoic acid 在 三氯氧磷 作用下， 以 苯 为溶剂， 反应 1.0h， 生成 2-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)benzoyl chloride
  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