N-[17-(1-hydroxyethylideneamino)-25,26,27,28-tetrapentoxy-11,23-bis(tritylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]ethanimidic acid | 935739-57-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: N-[17-(1-hydroxyethylideneamino)-25,26,27,28-tetrapentoxy-11,23-bis(tritylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]ethanimidic acid
• CAS: 935739-57-4
• 化学式: C₉₀H₁₀₀N₄O₆
• 分子量: 1333.81
• InChiKey: YSECWGZMJXFKJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.5
• 重原子数：
  100
• 可旋转键数：
  32
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  126
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N-[17-(1-hydroxyethylideneamino)-25,26,27,28-tetrapentoxy-11,23-bis(tritylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]ethanimidic acid 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 N-(17-acetamido-11,23-diamino-25,26,27,28-tetrapentoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)acetamide
  参考文献：
  名称：

  First Protection of a Wide-Rim Tetraamino Calix[4]arene in Opposite Positions

  摘要：

  The importance of tetraamino calix[4]arenes as starting materials is distinctly increased by the first versatile protective group for opposite amino functions. Reaction with trityl chloride leads to the 1,3-dialkylated derivative easily isolated in 34% yield; after a first acylation of the remaining amino groups, the trityl residues can be removed by TFA to introduce a second acyl group.

  DOI：

  10.1021/ol062943s
• 作为产物：
  描述：

  25,26,27,28-tetrapentoxy-11-N,23-N-ditritylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetramine 、 乙酸酐 在 三乙胺 作用下， 生成 N-[17-(1-hydroxyethylideneamino)-25,26,27,28-tetrapentoxy-11,23-bis(tritylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]ethanimidic acid
  参考文献：
  名称：

  First Protection of a Wide-Rim Tetraamino Calix[4]arene in Opposite Positions

  摘要：

  The importance of tetraamino calix[4]arenes as starting materials is distinctly increased by the first versatile protective group for opposite amino functions. Reaction with trityl chloride leads to the 1,3-dialkylated derivative easily isolated in 34% yield; after a first acylation of the remaining amino groups, the trityl residues can be removed by TFA to introduce a second acyl group.

  DOI：

  10.1021/ol062943s