1,2-bis(6-chloropyrazin-2-yloxy)benzene | 1105065-94-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,2-bis(6-chloropyrazin-2-yloxy)benzene
• 英文别名: 2-Chloro-6-[2-(6-chloropyrazin-2-yl)oxyphenoxy]pyrazine；2-chloro-6-[2-(6-chloropyrazin-2-yl)oxyphenoxy]pyrazine
• CAS: 1105065-94-8
• 化学式: C₁₄H₈Cl₂N₄O₂
• 分子量: 335.149
• InChiKey: VNGOMVNBJFHBLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  2,6-二氯吡嗪 、 邻苯二酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以80%的产率得到1,2-bis(6-chloropyrazin-2-yloxy)benzene
  参考文献：
  名称：

  Synthesis, structure, and conformation of ortho-linked oxacalix[n]arene[n]hetarenes

  摘要：

  ortho-Linked oxacalix[n]arene[n]hetarenes (n=2, 3) were prepared by one-step cyclooligomerization of catechol and meta-dichlorinated nitrogen containing heterocycles or via a two-step reaction process. Solid state structure of the ortho-linked oxacalix[n]arene[n]hetarenes (n=2, 3) has been determined by X-ray crystallography. 1,3-Alternate and 1,3,5-alternate conformations were found for ortho-linked oxacalix[2]arene[2]pyrazine (1) and oxacalix[3]arene[3]pyrazine (2), respectively. However, a core conformation with C-3 symmetry was found for ortho-linked oxacalix[3]arene[3]pyrimidine (4), which is completely different from that of its isomer, compound 2. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.083

文献信息

• Synthesis, structure, and conformation of ortho-linked oxacalix[n]arene[n]hetarenes
  作者：Mingliang Ma、Hongxiu Wang、Xiaoyan Li、Longqing Liu、Haishan Jin、Ke Wen

  DOI：10.1016/j.tet.2008.10.083

  日期：2009.1

  ortho-Linked oxacalix[n]arene[n]hetarenes (n=2, 3) were prepared by one-step cyclooligomerization of catechol and meta-dichlorinated nitrogen containing heterocycles or via a two-step reaction process. Solid state structure of the ortho-linked oxacalix[n]arene[n]hetarenes (n=2, 3) has been determined by X-ray crystallography. 1,3-Alternate and 1,3,5-alternate conformations were found for ortho-linked oxacalix[2]arene[2]pyrazine (1) and oxacalix[3]arene[3]pyrazine (2), respectively. However, a core conformation with C-3 symmetry was found for ortho-linked oxacalix[3]arene[3]pyrimidine (4), which is completely different from that of its isomer, compound 2. (C) 2008 Elsevier Ltd. All rights reserved.
• 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.