H2N-TTEG-OCO-EDADNS | 1321923-29-8

• 英文名称: H2N-TTEG-OCO-EDADNS
• CAS: 1321923-29-8
• 化学式: C₂₃H₃₆N₄O₇S
• 分子量: 512.627
• InChiKey: DQWZYTCNSBUUNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  35.0
• 可旋转键数：
  17.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  141.45
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  H2N-TTEG-OCO-EDADNS 、 以 N,N-二甲基甲酰胺 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  A Convenient Route to Diversely Substituted Icosahedral Closomer Nanoscaffolds

  摘要：

  The design and synthesis of icosahedral polyhedral borane closomer motifs based upon carbonate and carbamate anchoring groups for biomedical applications are described. Dodecacarbamate closomers containing easily accessible groups of interest at their linker termini were synthesized via activation of the B-OH vertices as aryl carbonates and their subsequent reaction with primary amines. Novel dodecacarbonate closomers were successfully synthesized for the first time by reacting [closo-B(12)(OH)(12)](2-) with an excess of respective aryl chloroformates, utilizing relatively short reaction times, mild conditions and simple purification strategies, all of which had previously presented difficulties in closomer chemistry. This methodology for the 12-fold degenerate synthesis of carbonate and carbamate closomers will greatly facilitate further exploration of closomers as monodisperse nanomolecular delivery platforms.

  DOI：

  10.1021/ja204488p
• 作为产物：
  描述：

  11-叠氮基-3,6,9-三氧杂十一醇 在 吡啶 、 palladium on carbon 、 氢气 、 sodium carbonate 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 乙酸乙酯 、 乙腈 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 6.17h， 生成 H2N-TTEG-OCO-EDADNS
  参考文献：
  名称：

  A Convenient Route to Diversely Substituted Icosahedral Closomer Nanoscaffolds

  摘要：

  The design and synthesis of icosahedral polyhedral borane closomer motifs based upon carbonate and carbamate anchoring groups for biomedical applications are described. Dodecacarbamate closomers containing easily accessible groups of interest at their linker termini were synthesized via activation of the B-OH vertices as aryl carbonates and their subsequent reaction with primary amines. Novel dodecacarbonate closomers were successfully synthesized for the first time by reacting [closo-B(12)(OH)(12)](2-) with an excess of respective aryl chloroformates, utilizing relatively short reaction times, mild conditions and simple purification strategies, all of which had previously presented difficulties in closomer chemistry. This methodology for the 12-fold degenerate synthesis of carbonate and carbamate closomers will greatly facilitate further exploration of closomers as monodisperse nanomolecular delivery platforms.

  DOI：

  10.1021/ja204488p