4,5,9,10-四氢芘-2,7-二羧酸 | 244789-60-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 中文名称: 4,5,9,10-四氢芘-2,7-二羧酸
• 英文名称: 4,5,9,10-tetrahydropyrene-2,7-dicarboxylic acid
• 英文别名: tetrahydropyrene-2,7-dicarboxylic acid；2,7-tetrahydropyrenedicarboxylic acid；H2HPDC；2,7-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-
• CAS: 244789-60-4
• 化学式: C₁₈H₁₄O₄
• 分子量: 294.307
• InChiKey: JIIUWPYGXWLJRT-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C (decomp)
• 沸点：
  594.9±50.0 °C(Predicted)
• 密度：
  1.453±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5,9,10-四氢芘-2,7-二羧酸 在 溴 、 lithium carbonate 作用下， 以 二硫化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 dimethyl 2,7-pyrenedicarboxylate
  参考文献：
  名称：

  4,5,9,10-四氢py的有效合成：一种有用的合成中间体，用于合成2,7-二取代的P。

  摘要：

  DOI：

  10.1021/jo990257j
• 作为产物：
  描述：

  2,7-diacetyl-4,5,9,10-tetrahydropyrene 在 sodium hydroxide 、 溴 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 4.0h， 以100%的产率得到4,5,9,10-四氢芘-2,7-二羧酸
  参考文献：
  名称：

  4,5,9,10-四氢py的有效合成：一种有用的合成中间体，用于合成2,7-二取代的P。

  摘要：

  DOI：

  10.1021/jo990257j

文献信息

• Rod Packings and Metal−Organic Frameworks Constructed from Rod-Shaped Secondary Building Units
  作者：Nathaniel L. Rosi、Jaheon Kim、Mohamed Eddaoudi、Banglin Chen、Michael O'Keeffe、Omar M. Yaghi

  DOI：10.1021/ja045123o

  日期：2005.2.1

  The principal structure possibilities for packing infinite rod-shaped building blocks are described. Some basic nets derived from linking simple rods (helices and ladders) are then enumerated. We demonstrate the usefulness of the concept of rod secondary building units in the design and synthesis of metal-organic frameworks (MOFs). Accordingly, we present the preparation, characterization, and crystal

  描述了用于包装无限杆状积木的主要结构可能性。然后列举了一些从连接简单的杆（螺旋和梯子）得到的基本网。我们证明了棒状二次构建单元概念在金属有机框架 (MOF) 的设计和合成中的有用性。因此，我们介绍了 12 种不同结构类型的 14 种新 MOF（命名为 MOF-69A-C 和 MOF-70-80）的制备、表征和晶体结构，属于棒状堆积基序，并展示了它们的结构如何与基本网。本文报道的 MOF 是多元羧酸盐，含有 Zn、Pb、Co、Cd、Mn 或 Tb 中的一种。
• Isoreticular metal-organic frameworks, process for forming the same, and systematic design of pore size and functionality therein, with application for gas storage
  申请人：——

  公开号：US20030004364A1

  公开（公告）日：2003-01-02

  The ability to design and construct solid-state materials with pre-determined structures is a grand challenge in chemistry. An inventive strategy based on reticulating metal ions and organic carboxylate links into extended networks has been advanced to a point that has allowed the design of porous structures in which pore size and functionality can be varied systematically. MOF-5, a prototype of a new class of porous materials and one that is constructed from octahedral Zn—O—C clusters and benzene links, was used to demonstrate that its 3-D porous system can be functionalized with the organic groups, —Br, —NH2, —OC 3 H 7 , —OC 5 H 11 , —H 4 C 2 , and —H 4 C 4 , and its pore size expanded with the long molecular struts biphenyl, tetrahydropyrene, pyrene, and terphenyl. The ability to direct the formation of the octahedral clusters in the presence of a desired carboxylate link is an essential feature of this strategy, which resulted in the design of an isoreticular (having the same framework topology) series of sixteen well-defined materials whose crystals have open space representing up to 91.1% of the crystal volume, and homogeneous periodic pores that can be incrementally varied from 3.8 to 28.8 angstroms. Unlike the unpredictable nature of zeolite and other molecular sieve syntheses, the deliberate control exercised at the molecular level in the design of these crystals is expected to have tremendous implications on materials properties and future technologies. Indeed, data indicate that members of this series represent the first monocrystalline mesoporous organic/inorganic frameworks, and exhibit the highest capacity for methane storage (155 cm 3 /cm 3 at 36 atm) and the lowest densities (0.41 to 0.21 g/cm 3 ) attained to date for any crystalline material at room temperature.

  在化学领域，设计和构建预定结构的固态材料是一个宏伟的挑战。一种基于将金属离子和有机羧酸连接成扩展网络的创新策略已经发展到了一定程度，使得可以设计出可系统变化孔径和功能的多孔结构。 MOF-5是一种新型多孔材料的原型，由八面体Zn-O-C簇和苯基连接构成，证明了其三维多孔系统可以通过有机基团（-Br，-NH2，-OC3H7，-OC5H11，-H4C2和-H4C4）进行功能化，并且可以使用长分子支架二苯基、四氢萘、芘和二联苯来扩展其孔径。在所需的羧酸连接物存在的情况下，指导八面体簇的形成是这种策略的一个重要特征，这导致设计出一个等网系列的十六种定义明确的材料，其晶体的开放空间占晶体体积的最高达91.1％，并且具有均匀的周期性孔隙，可以从3.8到28.8埃逐渐变化。与沸石和其他分子筛合成的不可预测性不同，这些晶体的设计在分子水平上有意控制，预计对材料性质和未来技术产生巨大影响。实际上，数据表明，该系列成员代表了第一批单晶介孔有机/无机框架，并且在室温下具有迄今为止任何晶体材料的最高甲烷存储容量（155 cm3/cm3，36 atm）和最低密度（0.41至0.21 g/cm3）。
• METHOD FOR THE PREPARATION OF METAL ORGANIC FRAMEWORKS
  申请人：Fundació Privada Institut Català de Nanotecnologia

  公开号：EP2578593A1

  公开（公告）日：2013-04-10

  A process for the preparation of a dry crystalline metal organic framework which comprises: a) spray drying at least one metal ion and at least one organic ligand which is at least bidentate into a spray dryer in the presence of a solvent, wherein the reaction of the at least one metal ion with the at least one organic ligand to yield the metal organic framework and the drying of the obtained metal organic framework take place simultaneously inside the spray dryer, and b) collecting the formed dry crystalline metal organic framework.

  一种制备干结晶金属有机框架的工艺，包括：a) 在有溶剂存在的情况下，将至少一种金属离子和至少一种至少为双齿配的有机配位体放入喷雾干燥器中喷雾干燥，其中至少一种金属离子与至少一种有机配位体的反应生成金属有机框架和得到的金属有机框架的干燥在喷雾干燥器内同时进行；b) 收集形成的干结晶金属有机框架。
• METAL-ORGANIC FRAMEWORK/STIMULUS-RESPONSIVE POLYMER COMPOSITE CAPABLE OF CONTROLLING RELEASE OF GUEST
  申请人：National University Corporation Hokkaido University

  公开号：EP3141263A1

  公开（公告）日：2017-03-15

  A metal-organic framework (MOF) having the function of controlling the release of guests is provided in which reversible release control is possible and release control can be rapidly performed and which is capable of accommodating the release of various guest molecules. The metal-organic framework comprises both an organic ligand having two or more functional groups (coordinating functional groups) capable of coordinating to a metal atom and metal ions that combine with the coordinating functional groups of the organic ligand, and has a structure in which one metal ion has combined with two or more of the coordinating functional groups to connect multiple molecules of the organic ligand. The metal-organic framework/stimulus-responsive polymer composite was obtained by affixing a stimulus-responsive polymer to at least some of the surface of the metal-organic framework. The stimulus-responsive polymer may be affixed by bonding to the organic ligand.

  本发明提供了一种具有控制客体释放功能的金属有机框架（MOF），该框架可实现可逆释放控制，并能快速进行释放控制，而且能够容纳各种客体分子的释放。金属有机框架包括具有两个或两个以上能与金属原子配位的官能团（配位官能团）的有机配体和与有机配体的配位官能团结合的金属离子，并具有一个金属离子与两个或两个以上配位官能团结合以连接多个有机配体分子的结构。金属有机框架/刺激响应型聚合物复合材料是通过将刺激响应型聚合物粘贴到金属有机框架的至少部分表面而获得的。刺激响应型聚合物可通过与有机配体键合来粘贴。
• Production of metal-organic frameworks
  申请人：Commonwealth Scientific and Industrial Research Organisation

  公开号：US10010860B2

  公开（公告）日：2018-07-03

  An apparatus for producing metal organic frameworks, comprising: a tubular flow reactor comprising a tubular body into which, in use, precursor compounds which form the metal organic framework are fed and flow, said tubular body including at least one annular loop.

  一种用于生产金属有机框架的设备，包括：一个管状流动反应器，该反应器由一个管状体组成，使用时，形成金属有机框架的前体化合物被送入该管状体中并在其中流动，所述管状体包括至少一个环形回路。