tert-butyl (4-((3-(5-(1,2-dithiolan-3-yl)pentanamido)propyl)(tert-butoxycarbonyl)amino)butyl)(3-((tert-butoxycarbonyl)amino)propyl)carbamate | 1053233-29-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫杂环戊烷
• 英文名称: tert-butyl (4-((3-(5-(1,2-dithiolan-3-yl)pentanamido)propyl)(tert-butoxycarbonyl)amino)butyl)(3-((tert-butoxycarbonyl)amino)propyl)carbamate
• CAS: 1053233-29-6
• 化学式: C₃₃H₆₂N₄O₇S₂
• 分子量: 691.01
• InChiKey: AXNQFMLODBFGNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.38
• 重原子数：
  46.0
• 可旋转键数：
  18.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  126.51
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (4-((3-(5-(1,2-dithiolan-3-yl)pentanamido)propyl)(tert-butoxycarbonyl)amino)butyl)(3-((tert-butoxycarbonyl)amino)propyl)carbamate 在 甲醇 、 乙酰氯 作用下， 反应 1.0h， 以98%的产率得到
  参考文献：
  名称：

  Direct force measurement between cucurbit[6]uril and spermine using atomic force microscopy

  摘要：

  The rupture forces of individual host-guest complexes between surface-confined cucurbit[6]uril (CE[6]) and spermine derivatives were measured directly by atomic force microscopy (AFM). While 1,2-dithiolane-attached spermine was immobilized on a gold-coated AFM tip, perallyloxyCB[6] was attached to an allyl-terminated self-assembled monolayer on a gold substrate by olefin metathesis reaction. A histogram and autocorrelation function analysis yielded a rupture force of approximately 120 pN, which is the highest Value ever reported for a synthetic host-guest system. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.045
• 作为产物：
  描述：

  2-甲基-2-丙基(3-氨基丙基)[4-({[(2-甲基-2-丙基)氧基]羰基}[3-({[(2-甲基-2-丙基)氧基]羰基}氨基)丙基]氨基)丁基]氨基甲酸酯 、 Thioctic acid 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 以78%的产率得到tert-butyl (4-((3-(5-(1,2-dithiolan-3-yl)pentanamido)propyl)(tert-butoxycarbonyl)amino)butyl)(3-((tert-butoxycarbonyl)amino)propyl)carbamate
  参考文献：
  名称：

  Direct force measurement between cucurbit[6]uril and spermine using atomic force microscopy

  摘要：

  The rupture forces of individual host-guest complexes between surface-confined cucurbit[6]uril (CE[6]) and spermine derivatives were measured directly by atomic force microscopy (AFM). While 1,2-dithiolane-attached spermine was immobilized on a gold-coated AFM tip, perallyloxyCB[6] was attached to an allyl-terminated self-assembled monolayer on a gold substrate by olefin metathesis reaction. A histogram and autocorrelation function analysis yielded a rupture force of approximately 120 pN, which is the highest Value ever reported for a synthetic host-guest system. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.045