(6RS,13SR)-3,3,6,10,10,13-hexamethyl-6,13-bis-tert-butyldimethylsilyloxyethoxy-1,4,8,11-tetraazacyclotetradecane-5,12-dione | 625415-95-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: (6RS,13SR)-3,3,6,10,10,13-hexamethyl-6,13-bis-tert-butyldimethylsilyloxyethoxy-1,4,8,11-tetraazacyclotetradecane-5,12-dione
• 英文别名: (6S,13R)-6,13-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetrazacyclotetradecane-5,12-dione
• CAS: 625415-95-4
• 化学式: C₃₂H₆₈N₄O₆Si₂
• 分子量: 661.086
• InChiKey: HFLWGZRTWTXHOY-MEKGRNQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.56
• 重原子数：
  44
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  119
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (6RS,13SR)-3,3,6,10,10,13-hexamethyl-6,13-bis-tert-butyldimethylsilyloxyethoxy-1,4,8,11-tetraazacyclotetradecane-5,12-dione 在 甲酸 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 26.0h， 生成 (6RS,13SR)-8,15-N,N'-diacetic acid 3,3,6,10,10,13-hexamethyl-6,13-bis-β-hydroxyethoxy-1,4,8,11-tetraazacyclotetradecane-5,12-dione
  参考文献：
  名称：

  N-Functionalization of Poly(ethylene glycol)-Linked Mono- and Bis-dioxocyclams as Potential Ligands for Gd³⁺

  摘要：

  A number of highly functionalized dioxocyclams with acetic acid side chains on the secondary amine sites and ethylene glycol side chains on 6 and 13-positions (12a, 12b) or a tetra(ethylene glycol) side chain linking the 6 and 13 positions (15) were synthesized and characterized, as was a bis-dioxocyclam bridged across the 6 and 13 positions by tetra(ethylene glycol) groups (16). These were screened for their ability to complex Gd3+. Only ligands 15 and 16, having tetra(ethylene glycol) groups, formed such complexes.

  DOI：

  10.1021/jo030183i
• 作为产物：
  描述：

  3,3,6,10,10,13-hexamethyl-6,13-bis-tert-butyldimethylsilyloxyethoxy-1,4,8,11-tetraazacyclotetradeca-7E,14E-diene-5,12-dione 在 sodium tetrahydroborate 作用下， 以 甲醇 、 水 为溶剂， 以50%的产率得到(6RS,13RS)-3,3,6,10,10,13-hexamethyl-6,13-bis-tert-butyldimethylsilyloxyethoxy-1,4,8,11-tetraazacyclotetradecane-5,12-dione
  参考文献：
  名称：

  N-Functionalization of Poly(ethylene glycol)-Linked Mono- and Bis-dioxocyclams as Potential Ligands for Gd³⁺

  摘要：

  A number of highly functionalized dioxocyclams with acetic acid side chains on the secondary amine sites and ethylene glycol side chains on 6 and 13-positions (12a, 12b) or a tetra(ethylene glycol) side chain linking the 6 and 13 positions (15) were synthesized and characterized, as was a bis-dioxocyclam bridged across the 6 and 13 positions by tetra(ethylene glycol) groups (16). These were screened for their ability to complex Gd3+. Only ligands 15 and 16, having tetra(ethylene glycol) groups, formed such complexes.

  DOI：

  10.1021/jo030183i

文献信息

• N-Functionalization of Poly(ethylene glycol)-Linked Mono- and Bis-dioxocyclams as Potential Ligands for Gd³⁺
  作者：Todd A. Brugel、L. S. Hegedus

  DOI：10.1021/jo030183i

  日期：2003.10.1

  A number of highly functionalized dioxocyclams with acetic acid side chains on the secondary amine sites and ethylene glycol side chains on 6 and 13-positions (12a, 12b) or a tetra(ethylene glycol) side chain linking the 6 and 13 positions (15) were synthesized and characterized, as was a bis-dioxocyclam bridged across the 6 and 13 positions by tetra(ethylene glycol) groups (16). These were screened for their ability to complex Gd3+. Only ligands 15 and 16, having tetra(ethylene glycol) groups, formed such complexes.