(S)-1-Azido-4-iodo-2-methyl-butane | 499101-07-4

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: (S)-1-Azido-4-iodo-2-methyl-butane
• CAS: 499101-07-4
• 化学式: C₅H₁₀IN₃
• 分子量: 239.059
• InChiKey: WQFFQMLSVMXVEW-YFKPBYRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.76
• 重原子数：
  9.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  48.76
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (S)-1-Azido-4-iodo-2-methyl-butane 在 sodium hydride 、 三甲基膦 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 93.17h， 生成 1,3,5-tris{(3S)-4-[3-(4-butylphenyl)ureido]-3-methylbutyl}-1,3,5-triazine-2,4,6-trione
  参考文献：
  名称：

  Effect of Conformational Preorganization of a Three-Armed Host on Anion Binding and Selectivity

  摘要：

  A set of three-armed urea-containing anion receptors was prepared. The receptors all have the same binding topology but differ in the level of conformational preorganisation with respect to the arrangement of the side-arms relative to the platform and within the side arms themselves. This is mirrored in a specific increase (x 2.5) in the binding constant for chloride and in a 12-fold increase in the chloride nitrate-selectivity.

  DOI：

  10.1002/1521-3765(20021104)8:21<4946::aid-chem4946>3.0.co;2-v
• 作为产物：
  描述：

  (3S)-4-azido-1-tert-butyldimethylsilyloxy-3-methylbutane 在 咪唑 、 氢氟酸 、 碘 、 三苯基膦 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 4.5h， 生成 (S)-1-Azido-4-iodo-2-methyl-butane
  参考文献：
  名称：

  Effect of Conformational Preorganization of a Three-Armed Host on Anion Binding and Selectivity

  摘要：

  A set of three-armed urea-containing anion receptors was prepared. The receptors all have the same binding topology but differ in the level of conformational preorganisation with respect to the arrangement of the side-arms relative to the platform and within the side arms themselves. This is mirrored in a specific increase (x 2.5) in the binding constant for chloride and in a 12-fold increase in the chloride nitrate-selectivity.

  DOI：

  10.1002/1521-3765(20021104)8:21<4946::aid-chem4946>3.0.co;2-v