5,7-Dichloro-6-methoxy-2-methyl-β-carbolinium chloride | 136247-76-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5,7-Dichloro-6-methoxy-2-methyl-β-carbolinium chloride
• 英文别名: 5,7-dichloro-6-methoxy-2-methyl-9H-pyrido[3,4-b]indol-2-ium;chloride
• CAS: 136247-76-2
• 化学式: C₁₃H₁₁Cl₂N₂O*Cl
• 分子量: 317.602
• InChiKey: GYXZNTLFVFLNAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.46
• 重原子数：
  19.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  28.9
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  5,7-Dichloro-6-methoxy-2-methyl-β-carbolinium chloride 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 生成 5,7-Dichloro-6-methoxy-2-methyl-1,2,3,4-tetrahydro-β-carboline
  参考文献：
  名称：

  Horsfiline, an oxindole alkaloid from Horsfieldia superba

  摘要：

  Horsfiline (1), a new oxindole alkaloid, was isolated from Horsefieldia superba together with the known alkaloids 6-methoxy-2-methyl-1,2,3,4-tetrahydro-beta-carboline 2 and 5-methoxy-N,N-dimethyltryptamine. The structure of 1 was determined by spectral analysis and confirmed by partial synthesis from 2.

  DOI：

  10.1021/jo00023a016
• 作为产物：
  描述：

  6-methoxy-2-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole 在 N-氯代丁二酰亚胺 作用下， 以 四氯化碳 为溶剂， 反应 0.5h， 生成 5-Chloro-6-methoxy-2-methyl-β-carbolinium chloride 、 5,7-Dichloro-6-methoxy-2-methyl-β-carbolinium chloride
  参考文献：
  名称：

  Horsfiline, an oxindole alkaloid from Horsfieldia superba

  摘要：

  Horsfiline (1), a new oxindole alkaloid, was isolated from Horsefieldia superba together with the known alkaloids 6-methoxy-2-methyl-1,2,3,4-tetrahydro-beta-carboline 2 and 5-methoxy-N,N-dimethyltryptamine. The structure of 1 was determined by spectral analysis and confirmed by partial synthesis from 2.

  DOI：

  10.1021/jo00023a016

文献信息

• Horsfiline, an oxindole alkaloid from Horsfieldia superba
  作者：Akino Jossang、Per Jossang、Hamid A. Hadi、Thierry Sevenet、Bernard Bodo

  DOI：10.1021/jo00023a016

  日期：1991.11

  Horsfiline (1), a new oxindole alkaloid, was isolated from Horsefieldia superba together with the known alkaloids 6-methoxy-2-methyl-1,2,3,4-tetrahydro-beta-carboline 2 and 5-methoxy-N,N-dimethyltryptamine. The structure of 1 was determined by spectral analysis and confirmed by partial synthesis from 2.