2,8,14,21-Tetraoxa-11,24,26,27-tetrazapentacyclo[20.3.1.13,7.19,13.015,20]octacosa-1(25),3(28),4,6,9,11,13(27),15,17,19,22(26),23-dodecaene | 1171177-63-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,8,14,21-Tetraoxa-11,24,26,27-tetrazapentacyclo[20.3.1.13,7.19,13.015,20]octacosa-1(25),3(28),4,6,9,11,13(27),15,17,19,22(26),23-dodecaene
• 英文别名: 2,8,14,21-tetraoxa-11,24,26,27-tetrazapentacyclo[20.3.1.13,7.19,13.015,20]octacosa-1(25),3(28),4,6,9,11,13(27),15,17,19,22(26),23-dodecaene
• CAS: 1171177-63-1
• 化学式: C₂₀H₁₂N₄O₄
• 分子量: 372.34
• InChiKey: XLVQRFBUMZWBBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,2-bis(6-chloropyrazin-2-yloxy)benzene 、 间苯二酚 在 caesium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 24.0h， 以30%的产率得到2,8,14,21-Tetraoxa-11,24,26,27-tetrazapentacyclo[20.3.1.13,7.19,13.015,20]octacosa-1(25),3(28),4,6,9,11,13(27),15,17,19,22(26),23-dodecaene
  参考文献：
  名称：

  Synthesis and structure characterization of unsymmetrical oxacalix[2]benzene[2]pyrazines

  摘要：

  The synthesis of two unsymmetrically linked oxacalix[2]benzene[2]pyrazines (1 and 2) is described. X-ray single crystal structure analysis revealed a highly distorted 1,3-alternate conformation of compound 1 (containing ortho- and meta-diphenol components) and a distorted boat conformation of compound 2 (containing meta- and para-diphenol components). Oxacalix[2]benzene[2]pyrazine containing both ortho- and para-diphenol components was not obtained via similar synthetic strategy. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.04.045

文献信息

• Synthesis and structure characterization of unsymmetrical oxacalix[2]benzene[2]pyrazines
  作者：Mei Li、Ming-Liang Ma、Xiao-Yan Li、Ke Wen

  DOI：10.1016/j.tet.2009.04.045

  日期：2009.6

  The synthesis of two unsymmetrically linked oxacalix[2]benzene[2]pyrazines (1 and 2) is described. X-ray single crystal structure analysis revealed a highly distorted 1,3-alternate conformation of compound 1 (containing ortho- and meta-diphenol components) and a distorted boat conformation of compound 2 (containing meta- and para-diphenol components). Oxacalix[2]benzene[2]pyrazine containing both ortho- and para-diphenol components was not obtained via similar synthetic strategy. (C) 2009 Elsevier Ltd. All rights reserved.