(2,4,5-Trichlorophenyl) 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate | 693827-73-5

• 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: (2,4,5-Trichlorophenyl) 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate
• CAS: 693827-73-5
• 化学式: C₂₆H₃₂Cl₃N₃O₆
• 分子量: 588.916
• InChiKey: UUMJLBRYGJHRHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  38
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  96.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2,4,5-Trichlorophenyl) 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate 在 ruthenium trichloride 、 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 乙醇 、 二氯甲烷 、 水 、 乙腈 为溶剂， 生成 [(2-{4,7-Bis-[(bis-tert-butoxycarbonylmethyl-carbamoyl)-methyl]-2,5,8-trioxo-[1,4,7]triazonan-1-yl}-acetyl)-tert-butoxycarbonylmethyl-amino]-acetic acid tert-butyl 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
• 作为产物：
  描述：

  Boc-(Nall)Gly-(Nall)Gly-OEt 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 (2,4,5-Trichlorophenyl) 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate
  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