[2-(3,5-dimethoxy-benzyloxy)-ethyl]-(2-hydroxy-ethyl)-carbamic acid tert-butyl ester | 1048377-96-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2-(3,5-dimethoxy-benzyloxy)-ethyl]-(2-hydroxy-ethyl)-carbamic acid tert-butyl ester
• CAS: 1048377-96-3
• 化学式: C₁₈H₂₉NO₆
• 分子量: 355.431
• InChiKey: GXZCPKJBVCDORJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.45
• 重原子数：
  25.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  77.46
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [2-(3,5-dimethoxy-benzyloxy)-ethyl]-(2-hydroxy-ethyl)-carbamic acid tert-butyl ester 、 硫代乙酸 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 以59%的产率得到thiolacetic acid 2-{tert-butoxycarbonyl-[2-(3,5-dimethoxy-benzyloxy)-ethyl]-amino}-ethyl ester
  参考文献：
  名称：

  Drastically Decreased Reactivity of Thiols and Disulfides Complexed by Cucurbit[6]uril

  摘要：

  The cucurbit[6]uril (CB6) host forms stable complexes with 2-aminoethanethiol (cysteamine) and a derivative that contains a bulky terminal group attached to the amine group, as well as with the related disulfide cystamine. In these complexes, the thiol or the disulfide group is encapsulated inside the host cavity. The CB6-complexed thiols show drastically decreased reactivity with several oxidants, while the C136-bound disulfide also exhibits hindered reactivity with reducing agents, such as dithiothreitol.

  DOI：

  10.1021/ol8013667
• 作为产物：
  描述：

  3,5-二甲氧基溴苄 、 N-叔丁氧羰基二乙胺 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 生成 [2-(3,5-dimethoxy-benzyloxy)-ethyl]-(2-hydroxy-ethyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Drastically Decreased Reactivity of Thiols and Disulfides Complexed by Cucurbit[6]uril

  摘要：

  The cucurbit[6]uril (CB6) host forms stable complexes with 2-aminoethanethiol (cysteamine) and a derivative that contains a bulky terminal group attached to the amine group, as well as with the related disulfide cystamine. In these complexes, the thiol or the disulfide group is encapsulated inside the host cavity. The CB6-complexed thiols show drastically decreased reactivity with several oxidants, while the C136-bound disulfide also exhibits hindered reactivity with reducing agents, such as dithiothreitol.

  DOI：

  10.1021/ol8013667