6-(n-butylamino)harmane | 1374025-88-3

• 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: 6-(n-butylamino)harmane
• 英文别名: N-butyl-1-methyl-9H-pyrido[3,4-b]indol-6-amine
• CAS: 1374025-88-3
• 化学式: C₁₆H₁₉N₃
• 分子量: 253.347
• InChiKey: VVZXOTMSNABMME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  40.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  哈尔满碱 在 溶剂黄146 、 三氟乙酸 、 锌 作用下， 以 甲醇 为溶剂， 反应 2.67h， 生成 6-(n-butylamino)harmane
  参考文献：
  名称：

  Reductive N-Alkylation of Nitroarenes: A Green Approach for the N-Alkylation of Natural Products

  摘要：

  A simple, mild, cost-effective, and green approach for the reductive mono-N-alkylation of nitroarenes has been developed. HOAc/Zn are utilized as the reducing system together with a carbonyl compound as an alkyl source in methanol. Excellent yields were obtained with stoichiometric control of mono- over dialkylated products. Application to five complex natural products demonstrated the practical utility of the method.

  DOI：

  10.1021/jo300303d

文献信息

• Reductive <i>N</i>-Alkylation of Nitroarenes: A Green Approach for the <i>N</i>-Alkylation of Natural Products
  作者：Amir E. Wahba、Mark T. Hamann

  DOI：10.1021/jo300303d

  日期：2012.5.18

  A simple, mild, cost-effective, and green approach for the reductive mono-N-alkylation of nitroarenes has been developed. HOAc/Zn are utilized as the reducing system together with a carbonyl compound as an alkyl source in methanol. Excellent yields were obtained with stoichiometric control of mono- over dialkylated products. Application to five complex natural products demonstrated the practical utility of the method.