2,3,5,6-tetrabromo-4-methoxyphenol | 31405-33-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,3,5,6-tetrabromo-4-methoxyphenol
• 英文别名: 2,3,5,6-tetrabromo-4-methoxy-phenol；Methyl-(2.3.5.6-tetrabrom-4-hydroxy-phenyl)-aether；2.3.5.6-Tetrabrom-4-hydroxy-1-methoxy-benzol；2,3,5,6-Tetrabrom-4-methoxy-phenol；4-Methoxy-2,3,5,6-tetrabromphenol
• CAS: 31405-33-1
• 化学式: C₇H₄Br₄O₂
• 分子量: 439.724
• InChiKey: XFOZLJOKHYEFAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.45
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2,3,5,6-tetrabromo-4-methoxyphenol 在 偶氮二甲酸二异丙酯 、 四丁基氟化铵 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 51.0h， 生成
  参考文献：
  名称：

  One-Pot Self-Assembly of Stellated Metallosupramolecules from Multivalent and Complementary Terpyridine-Based Ligands

  摘要：

  A series of stellated metallosupramolecular architectures have been assembled through three component integrative self-sorting. Building on the complementary ligand pairing, the initial attempts to synthesize the hexagram complex from a combination of X-shaped tetrakis- and V-shaped bis-terpyridine ligands, and Cd-II ions, resulted in an unprecedented mixture of stellated octanuclear and dodecanuclear metallocages, which were further isolated by column chromatography. To overcome the unexpected obstacle, the multivalent ligand design along with spontaneous heteroleptic complexation was applied to realization of the one-pot synthesis of the intricate topology. A centrally situated triangle served as a prop for quantitative formation of the six-pointed stellated complex. Notably, in the absence of the triangular prop, a four-pointed star was produced.

  DOI：

  10.1021/jacs.9b08731
• 作为产物：
  描述：

  四溴对苯醌 在 盐酸 、 铜 作用下， 生成 2,3,5,6-tetrabromo-4-methoxyphenol
  参考文献：
  名称：

  Eistert,B. et al., Justus Liebigs Annalen der Chemie, 1970, vol. 735, p. 145 - 157

  摘要：

  DOI：

文献信息

• Tsuzuki, Hirohisa; Iyama, Hironobu; Tsukinoki, Takehito, Journal of Chemical Research, Miniprint, 1994, # 8, p. 1701 - 1716
  作者：Tsuzuki, Hirohisa、Iyama, Hironobu、Tsukinoki, Takehito、Mukumoto, Mamoru、Yonemitsu, Tadashi、et al.

  DOI：——

  日期：——
• Chunter; Ratman, Zhurnal Obshchei Khimii, 1937, vol. 7, p. 2202,2203, 2204
  作者：Chunter、Ratman

  DOI：——

  日期：——
• Eistert,B. et al., Justus Liebigs Annalen der Chemie, 1970, vol. 735, p. 145 - 157
  作者：Eistert,B. et al.

  DOI：——

  日期：——
• One-Pot Self-Assembly of Stellated Metallosupramolecules from Multivalent and Complementary Terpyridine-Based Ligands
  作者：Jun-Hao Fu、Shih-Yu Wang、Yu-Sheng Chen、Soumyakanta Prusty、Yi-Tsu Chan

  DOI：10.1021/jacs.9b08731

  日期：2019.10.16

  A series of stellated metallosupramolecular architectures have been assembled through three component integrative self-sorting. Building on the complementary ligand pairing, the initial attempts to synthesize the hexagram complex from a combination of X-shaped tetrakis- and V-shaped bis-terpyridine ligands, and Cd-II ions, resulted in an unprecedented mixture of stellated octanuclear and dodecanuclear metallocages, which were further isolated by column chromatography. To overcome the unexpected obstacle, the multivalent ligand design along with spontaneous heteroleptic complexation was applied to realization of the one-pot synthesis of the intricate topology. A centrally situated triangle served as a prop for quantitative formation of the six-pointed stellated complex. Notably, in the absence of the triangular prop, a four-pointed star was produced.