2,2-双(4-碘苯基)丙烷 | 82789-74-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,2-双(4-碘苯基)丙烷
• 英文名称: 2,2-bis(4-iodophenyl)propane
• 英文别名: Bis(4 iodophenyl)propane；1-iodo-4-[2-(4-iodophenyl)propan-2-yl]benzene
• CAS: 82789-74-0
• 化学式: C₁₅H₁₄I₂
• 分子量: 448.085
• InChiKey: NFMWXALDMVWPAF-UHFFFAOYSA-N

物化性质

• 沸点：
  402.4±38.0 °C(Predicted)
• 密度：
  1.815±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,2-双(4-碘苯基)丙烷 以 二氯甲烷 、 乙腈 为溶剂， 生成 [Hydroxy-[4-[2-[4-[hydroxy-(4-methylphenyl)sulfonyloxy-lambda3-iodanyl]phenyl]propan-2-yl]phenyl]-lambda3-iodanyl] 4-methylbenzenesulfonate
  参考文献：
  名称：

  Synthesis and Characterization of Cationic Iodonium Macrocycles

  摘要：

  A synthetic strategy for the high-yield preparation of iodonium containing macrocycles such as rhomboids, a square, and a pentagon is described, with the long-term objective of preparing iodonium compounds for potential molecular electronics applications. Two cationic rhomboid shaped molecules were prepared for the first time (55-70%) by the treatment of compounds 11 and 12a or 12b with Me3SiOTf. The reaction of dication 8 with 6 in the presence of Me3SiOTf gave an iodonium containing molecular square in 70% yield. In addition, a pentagon-shaped macromolecule was prepared in 60% yield. These iodonium-containing charged macromolecules were characterized by multinuclear NMR, mass spectrometry, and physical means.

  DOI：

  10.1021/jo030246x
• 作为产物：
  描述：

  2,2-二苯基丙烷 在 碘 、 [双(三氟乙酰氧基)碘]苯 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 以80.02%的产率得到2,2-双(4-碘苯基)丙烷
  参考文献：
  名称：

  结合双芳基单元的高长径比双酚和聚碳酸酯的合成

  摘要：

  将单体几何形状与聚合物断裂强度和熔体流动性能联系起来的理论论证为设计一系列异构体，高长径比双酚和新型聚碳酸酯提供了理论依据。除了用于合成高分子量聚碳酸酯的最佳基于三光气化的方法外，还提出了这些单体的有效合成方法。除了新型聚碳酸酯的玻璃化转变温度外，还报道了邻，间和对四芳基双酚A的制备和聚合反应。符合预期，p-和m-异构体形成可延展的非晶态高温薄膜，而o-异构体产生相对较低的T g脆性玻璃。

  DOI：

  10.1021/ma048616m

文献信息

• A Theoretical Guideline for Designing Effective Host Materials Based on 4,4′-Bis(9-carbazolyl)-1,1′-biphenyl Derivatives for Blue Phosphorescent Devices
  作者：Tomohiro Oshiyama、Noriko Yasukawa、Hiroshi Kita、Toru Matsui、Masato Sumita、Kenji Morihashi

  DOI：10.1246/bcsj.20160345

  日期：2017.2.15

  Development of host materials is crucial for organic electroluminescent devices. In order to generalize the way to molecular design the host materials, we here present a guideline to design effective host materials for blue phosphorescent devices based on 4,4′-bis(9-carbazolyl)-1,1′-biphenyl (CBP) derivatives, comparing some theoretical parameters of seven CBP derivatives with experimental ones in terms of thermal stability, T1 energy level, and band gap. Although our computation at the density functional theory level could not reproduce the absolute values and phenomena that were experimentally obtained, theoretical relative correlations between different molecules agreed with experimental ones. Indeed, both experimental and theoretical approaches predicted that the same molecule (1,1-bis(4-(9-carbazolyl)-phenyl)cyclohexane) was viable as blue host material among the target molecules in terms of thermal stability, the T1 state with the LE character within carbazole moieties and T1 energy 3.00 eV higher than that of blue emitters. The qualitative guideline we proposed would be potentially helpful to save experimental work to design other hole- or electron-transporting materials.

  宿主材料的开发对于有机电致发光器件至关重要。为了推广分子设计宿主材料的方法，我们在此提出了基于 4,4′-双（9-咔唑基）-1,1′-联苯（CBP）衍生物的蓝色磷光器件有效宿主材料的设计指南，比较了 7 种 CBP 衍生物在热稳定性、T1 能级和带隙方面的一些理论参数与实验参数。尽管我们在密度泛函理论水平上的计算无法再现实验所获得的绝对值和现象，但不同分子之间的理论相对相关性与实验结果一致。事实上，根据实验和理论方法的预测，同一分子（1,1-双（4-（9-咔唑基）-苯基）环己烷）在热稳定性、咔唑分子内具有 LE 特性的 T1 状态以及比蓝色发射体高 3.00 eV 的 T1 能量等方面，都可以作为目标分子中的蓝色宿主材料。我们提出的定性准则可能有助于节省设计其他空穴或电子传输材料的实验工作。
• Monomers containing at least one biaryl unit and polymers and derivatives prepared therefrom
  申请人：——

  公开号：US20040254327A1

  公开（公告）日：2004-12-16

  The invention relates to bisphenol monomers containing one or more biaryl units and related polymers, derivatives and resins thereof and more particularly to Bisphenol monomers containing two biaryl units separated by a spacer group X, and to bisphenol monomers containing a biaryl unit and an aryl unit separated by a spacer group X, and to polymers, derivatives, resins and related products prepared therefrom.

  本发明涉及含有一个或多个双芳基单元的双酚单体及其相关聚合物、衍生物和树脂，更具体地涉及含有两个由间隔基团X分隔的双芳基单元的双酚单体，以及含有一个芳基单元和一个由间隔基团X分隔的双芳基单元的双酚单体，以及由此制备的聚合物、衍生物、树脂和相关产品。
• Amine polymers and imaging members containing amine polymers
  申请人：XEROX CORPORATION

  公开号：EP0052961A1

  公开（公告）日：1982-06-02

  A polymer of the formula: wherein 0 = phenyl or phenylene b = 0, 1, 2 or 3 n = 3 or greater, and an imaging member (30) comprising a charge generation layer (12) comprising a layer (13) of photoconductive material and a contiguous charge transport layer (15) comprising a polymer resulting from the condensation of an aromatic diamine compound and an aromatic dihalo compound.

  式中的聚合物： 其中 0 = 苯基或亚苯基 b = 0、1、2 或 3 n = 3 或更大、 和成像元件（30），成像元件（30）包括电荷发生层（12），电荷发生层（12）包括光电导材料层（13）和相邻的电荷传输层（15），相邻的电荷传输层（15）包括由芳香族二胺化合物和芳香族二卤化合物缩合而成的聚合物。
• Preparation of poly(benz(ox, imid, thi)azole) polymers
  申请人：EASTMAN KODAK COMPANY

  公开号：EP0522469A2

  公开（公告）日：1993-01-13

  A method for the preparation of poly(benzoxazole)s, poly(benzimidazole)s, and poly(benzthiazole)s. In the presence of solvent and catalyst, reacting carbon monoxide, an aromatic halide reactant having the general formula X¹-Ar¹-Z¹ and an aromatic amine reactant having the general formula Z²-Ar²-M¹, wherein X¹ and Z¹ are non-ortho, Z² and M¹ are non-ortho, one of Z¹ and Z² is X² and the other one is M², -Ar¹- and -Ar²- are each independently selected from the group consisting of aromatic and hetero-aromatic moieties having a total of ring carbons and heteroatoms of from 6 to 20, X¹ and X² are each independently selected from the group consisting of -I and -Br, and M¹ and M² are each independently selected from moieties having an -NH₂ radical and, ortho to the -NH₂ radical, a radical selected from the group consisting of -NH₂, -OH, and -SH.

  一种制备聚（苯并恶唑）、聚（苯并咪唑）和聚（苯并噻唑）的方法。在溶剂和催化剂存在下，使一氧化碳、通式为 X¹-Ar¹-Z¹ 的芳族卤化物反应物和通式为 Z²-Ar²-M¹ 的芳族胺反应物反应，其中 X¹ 和 Z¹ 为非正交，Z² 和 M¹ 为非正交，Z¹ 和 Z² 中的一个为 X²，另一个为 M²、-Ar¹-和-Ar²-各自独立地选自由环碳原子和杂原子总数为 6 至 20 的芳香族和杂芳香族分子组成的组，X¹和 X² 各自独立地选自由-I 和-Br 组成的组，M¹和 M² 各自独立地选自由具有-NH₂基的分子以及与-NH₂基正交的选自由-NH₂、-OH 和-SH 组成的组的基。
• Porous/nanoporous PHT
  申请人：International Business Machines Corporation

  公开号：US10767013B2

  公开（公告）日：2020-09-08

  Methods of forming nanoporous materials are described herein that include forming a polymer network with a chemically removable portion. The chemically removable portion may be polycarbonate polymer that is removable on application of heat or exposure to a base, or a polyhexahydrotriazine (PHT) or polyhemiaminal (PHA) polymer that is removable on exposure to an acid. The method generally includes forming a reaction mixture comprising a formaldehyde, a solvent, a primary aromatic diamine, and a diamine having a primary amino group and a secondary amino group, the secondary amino group having a base-reactive substituent, and heating the reaction mixture to a temperature of between about 50 deg C. and about 150 deg C. to form a polymer. Removing any portion of the polymer results in formation of nanoscopic pores as polymer chains are decomposed, leaving pores in the polymer matrix.

  本文描述了形成纳米多孔材料的方法，包括形成具有化学可去除部分的聚合物网络。化学可去除部分可以是在加热或接触碱时可去除的聚碳酸酯聚合物，或在接触酸时可去除的聚六氢三嗪（PHT）或聚芳香族胺（PHA）聚合物。该方法一般包括形成一种反应混合物，该混合物包括甲醛、溶剂、芳香族伯胺和具有伯氨基和仲氨基（仲氨基具有碱反应取代基）的二胺，并将反应混合物加热到约 50 摄氏度至约 150 摄氏度的温度，以形成聚合物。移除聚合物的任何部分都会导致纳米孔隙的形成，因为聚合物链会分解，在聚合物基质中留下孔隙。