methyl [2-(acetylamino)-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate | 897936-43-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl [2-(acetylamino)-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
• 英文别名: Methyl 2-[2-acetamido-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate；methyl 2-[2-acetamido-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
• CAS: 897936-43-5
• 化学式: C₁₄H₁₇NO₇
• 分子量: 311.291
• InChiKey: YUIHCJCQXPNUPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl [2-(acetylamino)-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate 、 O-二(2-氨基乙氧基)苯 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以19%的产率得到N-(4,19-dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.3.1.0^9,14]hexacosa-1(25),9(14),10,12,22(26).23-hexaen-26-yl)acetamide
  参考文献：
  名称：

  Structural studies and binding properties of pendant diazacoronands—precursors to macrocyclic compounds of planar chirality

  摘要：

  Structural studies of pendant diazacoronands having an N-benzoyl, N-acetyl, O-benzyl or O-benzoyl side arm were performed by means of X-ray and temperature-dependent H-1 NMR experiments. The energies of macroring flipping process were determined for three pendant diazacoronands. The complexation properties of pendant diazacoronands toward the alkali metal cations (Na+, K, and Rb+) were estimated by ESI-MS experiments. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.04.024
• 作为产物：
  描述：

  2-氨基间苯二酚 在 potassium carbonate 作用下， 以 甲醇 、 丁酮 为溶剂， 反应 48.0h， 生成 methyl [2-(acetylamino)-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
  参考文献：
  名称：

  Structural studies and binding properties of pendant diazacoronands—precursors to macrocyclic compounds of planar chirality

  摘要：

  Structural studies of pendant diazacoronands having an N-benzoyl, N-acetyl, O-benzyl or O-benzoyl side arm were performed by means of X-ray and temperature-dependent H-1 NMR experiments. The energies of macroring flipping process were determined for three pendant diazacoronands. The complexation properties of pendant diazacoronands toward the alkali metal cations (Na+, K, and Rb+) were estimated by ESI-MS experiments. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.04.024

文献信息

• Structural studies and binding properties of pendant diazacoronands—precursors to macrocyclic compounds of planar chirality
  作者：Jarosław Kalisiak、Ewa Kalisiak、Janusz Jurczak

  DOI：10.1016/j.tet.2006.04.024

  日期：2006.6

  Structural studies of pendant diazacoronands having an N-benzoyl, N-acetyl, O-benzyl or O-benzoyl side arm were performed by means of X-ray and temperature-dependent H-1 NMR experiments. The energies of macroring flipping process were determined for three pendant diazacoronands. The complexation properties of pendant diazacoronands toward the alkali metal cations (Na+, K, and Rb+) were estimated by ESI-MS experiments. (c) 2006 Elsevier Ltd. All rights reserved.