[Allyl-(2-{allyl-[2-(allyl-tert-butoxycarbonyl-amino)-acetyl]-amino}-acetyl)-amino]-acetic acid ethyl ester | 693827-72-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [Allyl-(2-{allyl-[2-(allyl-tert-butoxycarbonyl-amino)-acetyl]-amino}-acetyl)-amino]-acetic acid ethyl ester
• CAS: 693827-72-4
• 化学式: C₂₂H₃₅N₃O₆
• 分子量: 437.536
• InChiKey: WNYVFBNEOWLHQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.0
• 重原子数：
  31.0
• 可旋转键数：
  13.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  96.46
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [Allyl-(2-{allyl-[2-(allyl-tert-butoxycarbonyl-amino)-acetyl]-amino}-acetyl)-amino]-acetic acid ethyl ester 在 ruthenium trichloride 、 sodium hydroxide 、 sodium periodate 、 三氟乙酸 、 4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 水 、 乙腈 为溶剂， 生成 N,N-Bis-(2-benzyloxy-ethyl)-2-(4,7-bis-{[bis-(2-benzyloxy-ethyl)-carbamoyl]-methyl}-2,5,8-trioxo-[1,4,7]triazonan-1-yl)-acetamide
  参考文献：
  名称：

  Synthesis of N-substituted cyclic triglycines and their response to metal ions

  摘要：

  N,N',N"-Trisubstituted-cyclo-triglycines were synthesized. The major conformation of these compounds has C-3 symmetry, and the carbonyl groups and substituents on the nitrogen are inclined in the same direction. Their response to various metal ions was estimated by constructing ion-selective electrodes. Two of them responded selectively to Ca2+ over other cations, demonstrating that N,N',N"trisubstituted- cyclo-triglycines provide a new scaffold to act as host molecules. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.10.214
• 作为产物：
  描述：

  N-(2-丙烯基)甘氨酸乙酯 、 Boc-(Nall)Gly-(Nall)Gly-OEt 在 sodium hydroxide 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以87%的产率得到[Allyl-(2-{allyl-[2-(allyl-tert-butoxycarbonyl-amino)-acetyl]-amino}-acetyl)-amino]-acetic acid ethyl ester
  参考文献：
  名称：

  Synthesis of N-substituted cyclic triglycines and their response to metal ions

  摘要：

  N,N',N"-Trisubstituted-cyclo-triglycines were synthesized. The major conformation of these compounds has C-3 symmetry, and the carbonyl groups and substituents on the nitrogen are inclined in the same direction. Their response to various metal ions was estimated by constructing ion-selective electrodes. Two of them responded selectively to Ca2+ over other cations, demonstrating that N,N',N"trisubstituted- cyclo-triglycines provide a new scaffold to act as host molecules. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.10.214