| 1326723-17-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1326723-17-4
• 化学式: C₃₃H₃₆Br₃N₅O₃
• 分子量: 790.393
• InChiKey: PBWJBFKVYZZCQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  44.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  71.25
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 8,22,35-Tribromo-4,26,31-trioxa-1,12,15,18,39-pentazapentacyclo[13.13.13.05,10.020,25.032,37]hentetraconta-5(10),6,8,20(25),21,23,32(37),33,35-nonaene
  参考文献：
  名称：

  Toward dynamic combinatorial libraries of cryptands

  摘要：

  The first examples of dynamic combinatorial libraries of cryptands, created using the chemistry of imines is presented. Experiments, in which two trialdehydes compete for one triamine in a small library, show the full reversibility of cryptand formation, since the library composition is the same irrespective of the sequence of introducing the building blocks to the mixture. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2011.06.075
• 作为产物：
  描述：

  三(2-氨基乙基)胺 、 2-[2-[Bis[2-(4-bromo-2-formylphenoxy)ethyl]amino]ethoxy]-5-bromobenzaldehyde 以 二氯甲烷 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Toward dynamic combinatorial libraries of cryptands

  摘要：

  The first examples of dynamic combinatorial libraries of cryptands, created using the chemistry of imines is presented. Experiments, in which two trialdehydes compete for one triamine in a small library, show the full reversibility of cryptand formation, since the library composition is the same irrespective of the sequence of introducing the building blocks to the mixture. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2011.06.075