(4-tert-Butoxycarbonylamino-butyl)-[2-(4-tert-butoxycarbonylamino-butylcarbamoyl)-4-(tert-butyl-dimethyl-silanyloxy)-butyl]-carbamic acid tert-butyl ester | 860495-56-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (4-tert-Butoxycarbonylamino-butyl)-[2-(4-tert-butoxycarbonylamino-butylcarbamoyl)-4-(tert-butyl-dimethyl-silanyloxy)-butyl]-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylcarbamoyl]butyl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
• CAS: 860495-56-3
• 化学式: C₃₄H₆₈N₄O₈Si
• 分子量: 689.021
• InChiKey: GAYVHKMRUIBRDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.98
• 重原子数：
  47
• 可旋转键数：
  24
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  145
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (4-tert-Butoxycarbonylamino-butyl)-[2-(4-tert-butoxycarbonylamino-butylcarbamoyl)-4-(tert-butyl-dimethyl-silanyloxy)-butyl]-carbamic acid tert-butyl ester 在 palladium on activated charcoal 劳森试剂 、 sodium tetrahydroborate 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 23.0h， 生成 (4-tert-Butoxycarbonylamino-butyl)-(2-{[tert-butoxycarbonyl-(4-tert-butoxycarbonylamino-butyl)-amino]-methyl}-4-hydroxy-butyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis of a Laterally Branched Polyamine from α-Methylene-γ-butyrolactone

  摘要：

  A polyamine derivative was prepared from alpha-methylene-gamma-butyrolactone. This method used Michael addition and lactone aminolysis followed by the nucleophilic substitution of the hydroxyl group by an azido group. The coupling of a lipophilic alkyne led to a polyamine that will be probed as a gene transfer agent.

  DOI：

  10.1021/ol050803x
• 作为产物：
  描述：

  [2-(4-Amino-butylcarbamoyl)-4-hydroxy-butyl]-(4-tert-butoxycarbonylamino-butyl)-carbamic acid tert-butyl ester 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 生成 (4-tert-Butoxycarbonylamino-butyl)-[2-(4-tert-butoxycarbonylamino-butylcarbamoyl)-4-(tert-butyl-dimethyl-silanyloxy)-butyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis of a Laterally Branched Polyamine from α-Methylene-γ-butyrolactone

  摘要：

  A polyamine derivative was prepared from alpha-methylene-gamma-butyrolactone. This method used Michael addition and lactone aminolysis followed by the nucleophilic substitution of the hydroxyl group by an azido group. The coupling of a lipophilic alkyne led to a polyamine that will be probed as a gene transfer agent.

  DOI：

  10.1021/ol050803x

文献信息

• Synthesis of a Laterally Branched Polyamine from α-Methylene-γ-butyrolactone
  作者：Mickaël Jean、Myriam Le Roch、Jacques Renault、Philippe Uriac

  DOI：10.1021/ol050803x

  日期：2005.6.1

  A polyamine derivative was prepared from alpha-methylene-gamma-butyrolactone. This method used Michael addition and lactone aminolysis followed by the nucleophilic substitution of the hydroxyl group by an azido group. The coupling of a lipophilic alkyne led to a polyamine that will be probed as a gene transfer agent.