3,3,6,10,10,13-hexamethyl-6,13-bis-tert-butyldimethylsilyloxyethoxy-1,4,8,11-tetraazacyclotetradeca-7E,14E-diene-5,12-dione | 681802-34-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3,3,6,10,10,13-hexamethyl-6,13-bis-tert-butyldimethylsilyloxyethoxy-1,4,8,11-tetraazacyclotetradeca-7E,14E-diene-5,12-dione
• CAS: 681802-34-6
• 化学式: C₃₂H₆₄N₄O₆Si₂
• 分子量: 657.054
• InChiKey: MBCXCCAADDODMZ-IENBMRAWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.53
• 重原子数：
  44.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  119.84
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  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 、 甲酸 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 水 、 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：

  (5RS,6SR)-6-tert-butyldimethylsiloxyethoxy-2,2,6-trimethyl-1,4-diazabicyclo[3.2.0]heptane-7-one 在 camphor-10-sulfonic acid 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 3,3,6,10,10,13-hexamethyl-6,13-bis-tert-butyldimethylsilyloxyethoxy-1,4,8,11-tetraazacyclotetradeca-7E,14E-diene-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