2-ammonio-4-methylpentyl sulfate | 1417738-30-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 英文名称: 2-ammonio-4-methylpentyl sulfate
• 英文别名: (2-Amino-4-methylpentyl) hydrogen sulfate；(2-amino-4-methylpentyl) hydrogen sulfate
• CAS: 1417738-30-7
• 化学式: C₆H₁₅NO₄S
• 分子量: 197.255
• InChiKey: SECVILHEEYUOIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  98
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-ammonio-4-methylpentyl sulfate 、 对甲苯磺酰氯 在 sodium hydroxide 、 三乙胺 作用下， 以 水 、 甲苯 为溶剂， 反应 30.0h， 以60%的产率得到1-(4-甲基苯基)磺酰基-2-(2-甲基丙基)氮丙啶
  参考文献：
  名称：

  Observations on the Modified Wenker Synthesis of Aziridines and the Development of a Biphasic System

  摘要：

  A cheap and reliable process for the modified Wenker cyclization to afford aziridines has been achieved using biphasic conditions for a range of amino alcohol starting materials. A 100 mmol "one-pot" process has also been devised, and the enantiopurity of the starting amino alcohol is retained in the aziridine product.

  DOI：

  10.1021/jo302615g
• 作为产物：
  描述：

  DL-亮氨醇 在 氯磺酸 作用下， 以 乙腈 为溶剂， 反应 3.5h， 以70%的产率得到2-ammonio-4-methylpentyl sulfate
  参考文献：
  名称：

  Observations on the Modified Wenker Synthesis of Aziridines and the Development of a Biphasic System

  摘要：

  A cheap and reliable process for the modified Wenker cyclization to afford aziridines has been achieved using biphasic conditions for a range of amino alcohol starting materials. A 100 mmol "one-pot" process has also been devised, and the enantiopurity of the starting amino alcohol is retained in the aziridine product.

  DOI：

  10.1021/jo302615g

文献信息

• Observations on the Modified Wenker Synthesis of Aziridines and the Development of a Biphasic System
  作者：Benjamin R. Buckley、Anish P. Patel、K. G. U. Wijayantha

  DOI：10.1021/jo302615g

  日期：2013.2.1

  A cheap and reliable process for the modified Wenker cyclization to afford aziridines has been achieved using biphasic conditions for a range of amino alcohol starting materials. A 100 mmol "one-pot" process has also been devised, and the enantiopurity of the starting amino alcohol is retained in the aziridine product.