{2-[4-Allylamino-6-(2-amino-ethylamino)-[1,3,5]triazin-2-yloxy]-ethyl}-carbamic acid tert-butyl ester | 556799-67-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: {2-[4-Allylamino-6-(2-amino-ethylamino)-[1,3,5]triazin-2-yloxy]-ethyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[2-[[4-(2-aminoethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate
• CAS: 556799-67-8
• 化学式: C₁₅H₂₇N₇O₃
• 分子量: 353.424
• InChiKey: KFOFDVHPRVQSLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  25
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  136
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  {2-[4-Allylamino-6-(2-amino-ethylamino)-[1,3,5]triazin-2-yloxy]-ethyl}-carbamic acid tert-butyl ester 在 2-乙氧基-1-乙氧碳酰基-1,2-二氢喹啉 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 23.25h， 生成 2-{4-allylamino-6-[2-(S)-N-3,5-dinitrobenzoylaminoisobutylacetylamino]-ethylamino-1,3,5-triazin-2-yloxy}ethylamine
  参考文献：
  名称：

  The s-triazine moiety as a scaffold for connecting different chiral auxiliaries: synthesis of new biselector CSPs for enantioselective chromatography

  摘要：

  An s-triazine scaffold bearing a free and a protected amino group was synthesised and used for connecting two different and differently derivatised aminoacids. Two diastereoisomeric chiral systems were obtained and, once linked to silica gel, they were used in the chromatographic resolution of structurally and electronically different racemic analytes, chosen among the racemates resolved by the isolated aminoacid derivatives. The collected results demonstrate the biselector behaviour of the CSPs in terms of enantiodiscriminating capability towards the class of racemic compounds resolved by both the isolated selectors as well as in terms of the independent action of the two chiral moieties of the system. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00203-9
• 作为产物：
  描述：

  [2-(4,6-Dichloro-[1,3,5]triazin-2-yloxy)-ethyl]-carbamic acid tert-butyl ester 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 5.0h， 生成 {2-[4-Allylamino-6-(2-amino-ethylamino)-[1,3,5]triazin-2-yloxy]-ethyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  The s-triazine moiety as a scaffold for connecting different chiral auxiliaries: synthesis of new biselector CSPs for enantioselective chromatography

  摘要：

  An s-triazine scaffold bearing a free and a protected amino group was synthesised and used for connecting two different and differently derivatised aminoacids. Two diastereoisomeric chiral systems were obtained and, once linked to silica gel, they were used in the chromatographic resolution of structurally and electronically different racemic analytes, chosen among the racemates resolved by the isolated aminoacid derivatives. The collected results demonstrate the biselector behaviour of the CSPs in terms of enantiodiscriminating capability towards the class of racemic compounds resolved by both the isolated selectors as well as in terms of the independent action of the two chiral moieties of the system. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00203-9