5,5'-(9,10-Dihydrophenanthrene-2,7-diyl)diisophthalic acid | 1173286-48-0

• 物质功能分类: 医药中间体 - 二苯胺类中间体
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5,5'-(9,10-Dihydrophenanthrene-2,7-diyl)diisophthalic acid
• 英文别名: 5-[7-(3,5-dicarboxyphenyl)-9,10-dihydrophenanthren-2-yl]benzene-1,3-dicarboxylic acid
• CAS: 1173286-48-0
• 化学式: C₃₀H₂₀O₈
• 分子量: 508.484
• InChiKey: QXBMVEXBDYHBAD-UHFFFAOYSA-N

物化性质

• 沸点：
  925.7±65.0 °C(Predicted)
• 密度：
  1.466±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  149
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5,5'-(9,10-Dihydrophenanthrene-2,7-diyl)diisophthalic acid 、 copper(II) nitrate trihydrate 在 盐酸 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 MFM-111
  参考文献：
  名称：

  Optimal Binding of Acetylene to a Nitro-Decorated Metal–Organic Framework

  摘要：

  We report the first example of crystallographic observation of acetylene binding to -NO2 groups in a metal organic framework (MOF). Functionalization of MFM-102 with -NO2 groups on phenyl groups leads to a 15% reduction in BET surface area in MFM-102-NO2. However, this is coupled to a 28% increase in acetylene adsorption to 192 cm(3) g(-1) at 298 K and 1 bar, comparable to other leading porous materials. Neutron diffraction and inelastic scattering experiments reveal the role of -NO2 groups, in cooperation with open metal sites, in the binding of acetylene in MFM-102-NO2.

  DOI：

  10.1021/jacs.8b08504
• 作为产物：
  描述：

  在 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 生成 5,5'-(9,10-Dihydrophenanthrene-2,7-diyl)diisophthalic acid
  参考文献：
  名称：

  通过使用配体曲率增强配位骨架材料中的H2吸附

  摘要：

  H 2 储存的弯曲配体？在配位骨架材料中观察到了H 2吸附的增强，通过将菲和9,10-二氢菲基团引入NbO拓扑结构的多孔Cu II-羧酸酯骨架材料中，可以描述一个例子。

  DOI：

  10.1002/chem.200802292

文献信息

• Observation of binding of carbon dioxide to nitro-decorated metal–organic frameworks
  作者：Thien D. Duong、Sergey A. Sapchenko、Ivan da Silva、Harry G. W. Godfrey、Yongqiang Cheng、Luke L. Daemen、Pascal Manuel、Mark D. Frogley、Gianfelice Cinque、Anibal J. Ramirez-Cuesta、Sihai Yang、Martin Schröder

  DOI：10.1039/c9sc04294f

  日期：——

  Synergistic effects between –NO₂ groups and open metal sites lead to optimal binding of CO₂ molecules within MFM-102-NO₂via hydrogen bonding to C–H groups.

  -NO2基团与开放金属位点之间的协同作用导致CO2分子在MFM-102- 中通过氢键结合到C-H基团，实现最佳结合。
• Pore with Gate: Enhancement of the Isosteric Heat of Adsorption of Dihydrogen via Postsynthetic Cation Exchange in Metal−Organic Frameworks
  作者：Sihai Yang、Gregory S. B. Martin、Jeremy J. Titman、Alexander J. Blake、David R. Allan、Neil R. Champness、Martin Schröder

  DOI：10.1021/ic200967b

  日期：2011.10.3

  Three isostructural anionic frameworks [(Hdma)(H3O)][In-2(L-1)(2)] center dot 4DMF center dot 5H(2)O}(infinity) (NOTT-206-solv), [H(2)ppz][In-2(L-2)(2)]center dot 3.5DMF center dot 5H(2)O}(infinity) (NOTT-200-solv), and [H(2)ppz][In-2(L-3)(2)]center dot 4DMF center dot 5.5H(2)O}(infinity) (NOTT-208-solv) (dma = dimethylamine; ppz = piperazine) each featuring organic countercations that selectively block the channels and act as pore gates have been prepared. The organic cations within the as-synthesized frameworks can be replaced by Li+ ions to yield the corresponding Li+-containing frameworks Li-1.2(H3O)(0.8)[In-2(L-1)(2)]center dot 14H(2)O}(infinity) (NOTT-207-solv), Li-1.5(H3O)(0.5)[In-2(L-2)(2)]center dot 11H(2)O}(infinity) (NOTT-201-solv), and Li-1.4(H3O)(0.6)[In-2(L-3)(2)]center dot 4acetone center dot 11H(2)O}(infinity) (NOTT-209-solv) in which the pores are now unblocked. The desolvated framework materials NOTT-200a, NOTT-206a, and NOTT-208a display nonporous, hysteretic and reversible N2 uptakes, respectively, while NOTT-206a and NOTT-200a provide a strong kinetic trap showing adsorption/desorption hysteresis with H2. Single crystal X-ray analysis confirms that the Li+ ions are either tetrahedrally (in NOTT-201-solv and NOTT-209-solv) or octahedrally (in NOTT-207-solv) coordinated by carboxylate oxygen atoms and/or water molecules. This is supported by Li-7 solid-state NMR spectroscopy. NOTT-209a, compared with NOTT-208a, shows a 31% enhancement in H-2 storage capacity coupled to a 38% increase in the isosteric heat of adsorption to 12 kJ/mol at zero coverage. Thus, by modulating the pore environment via postsynthetic cation exchange, the gas adsorption properties of the resultant MOP can be fine-tuned. This affords a methodology for the development of high capacity storage materials that may operate at more ambient temperatures.