2,2-di(4-nitrophenyl)propane | 137107-40-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2-di(4-nitrophenyl)propane
• 英文别名: 2,2-bis(4-nitrophenyl)propane；1-nitro-4-[2-(4-nitrophenyl)propan-2-yl]benzene
• CAS: 137107-40-5
• 化学式: C₁₅H₁₄N₂O₄
• 分子量: 286.287
• InChiKey: BPEPYKMGVKQEGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 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：
  91.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-di(4-nitrophenyl)propane 在 钯 氮气 、 氢气 、 正己烷 作用下， 以 1,4-二氧六环 为溶剂， 反应 6.0h， 以to afford 224.0 g (0.99 mol, 96% of theory) of 4,4'-isopropylidenedianiline (bisaniline-A), m.p. 130-131.5° C.的产率得到2,2-双(4-氨基苯基)丙烷
  参考文献：
  名称：

  Spandex prepared with hindered diisocyanates

  摘要：

  提供了使用2,2-双(4-异氰酸苯基)丙烷或1,4-双(4-异氰酸-α，α-二甲基苯基)苯制备的聚氨酯脲和由此类聚氨酯脲纺制的氨纶。

  公开号：

  US06063892A1
• 作为产物：
  描述：

  2,2-二苯基丙烷 在 硫酸 、 硝酸 作用下， 以 溶剂黄146 为溶剂， 反应 8.0h， 以80%的产率得到2,2-di(4-nitrophenyl)propane
  参考文献：
  名称：

  Structures and short contacts of F⋯O(nitro) and H⋯O(nitro) in 2,2-di(4-nitrophenyl)hexafluoropropane and 2,2-di(4-nitrophenyl)propane

  摘要：

  2,2-Di(4-nitrophenyl)hexafluoropropane (1) and 2,2-di(4-nitrophenyl)propane (2) were synthesized and their crystal structures were determined. The crystals of both diarylpropanes have helical conformations with unsymmetrical ring-twist angles, phi(A) = 46.7, phi(B) = 33.5degrees for 1, and phi(A) = 64.9, phi(B) = 31.8degrees, for 2. In contrast, density functional theory calculations indicate symmetrical, helical C-2 states for both 1 (phi(A) = phi(AB) = 43.1degrees) and 2 (phi(A) = phi(B) = 51.5degrees). Intermolecular pi-pi-stacks along the a-axis of the crystals are composed of a pair of nitrophenyl rings oriented in opposite directions. Short contacts of O(nitro)F-... and O(nitro)H-...(Me) within the sum of van der Waals radii were also found in 1 and 2, respectively. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(02)00391-5

文献信息

• Regioselective nitration of diphenyl compounds
  申请人：Amoco Corporation

  公开号：US05037994A1

  公开（公告）日：1991-08-06

  A regioselective nitration process for diphenyl compounds which can be carried out at about ambient temperature in which each ring of the diphenyl compound is selectively nitrated in the para position to form the corresponding di(4-nitrophenyl) compound. Such compounds as diphenyl carbonate, 2,2-diphenylpropane, 2,2-diphenylhexafluoropropane, diphenyl sulfide, diphenyl ketone, diphenyl sulfone, and the like can be converted to an isomeric mixture containing an enhanced amount of the corresponding di(4-nitrophenyl) compound, which mixture may be reduced or purified and reduced to the di(4-aminophenyl) analogues for use in the manufacture of polyamides, polyimides, and polyamide-imides.

  一种区域选择性硝化过程，适用于二苯基化合物，可在大约室温下进行，在该过程中，二苯基化合物的每个环被选择性地硝化到对位位置，形成相应的二(4-硝基苯基)化合物。例如，二苯基碳酸酯、2,2-二苯基丙烷、2,2-二苯基六氟丙烷、二苯基硫醚、二苯基酮、二苯基磺酮等化合物可以转化为含有增强量的相应二(4-硝基苯基)化合物的异构体混合物，该混合物可以被还原或纯化并还原为二(4-氨基苯基)类似物，用于制造聚酰胺、聚酰亚胺和聚酰胺-酰亚胺。
• Hochmolekulare Arylensulfidpolymere
  申请人：BAYER AG

  公开号：EP0345550A2

  公开（公告）日：1989-12-13

  Die Erfindung betrifft neue hochmolekulare Arylensulfid­polymere mit gegebenenfalls zusätzlich verbesserter Be­ständigkeit gegen UV-Strahlung, hergestellt durch Auf­schmelzen von Arylensulfidpolymeren, vorzugsweise PPS, mit Polynitroverbindungen, bzw. mit Mononitroverbindun­gen, die mindestens einen weiteren zur Reaktion mit dem Arylensulfidpolymeren befähigten Substituenten tragen.

  本发明涉及新型高分子量芳基硫醚聚合物，该聚合物通过将芳基硫醚聚合物（最好是聚苯硫醚）与多硝基化合物或单硝基化合物熔融而制得，这些化合物至少还带有一个能与芳基硫醚聚合物发生反应的取代基。
• Verfahren zur Herstellung von 2,2-Bis-(aminophenyl)-propan
  申请人：BAYER AG

  公开号：EP0481316A1

  公开（公告）日：1992-04-22

  2,2-Bis-(aminophenyl)-propan mit einem Anteil des 4,4'-Isomeren von mindestens 70 % kann hergestellt werden, indem man 2,2-Diphenyl-propan zu 2,2-Bis-(nitrophenyl)-propan nitriert und dieses in einem nachfolgenden Schritt zu 2,2-Bis-(aminophenyl)-propan reduziert.

  通过将 2,2-二苯基丙烷硝化成 2,2-双（硝基苯基）丙烷，并在随后的步骤中还原成 2,2-双（氨基苯基）丙烷，可以制备出 4,4'-异构体比例至少为 70% 的 2,2-双（氨基苯基）丙烷。
• Process for the preparation of trisubstituted ureas by reductive carbonylation
  申请人：ARCO Chemical Technology, L.P.

  公开号：EP0507616A1

  公开（公告）日：1992-10-07

  Preparing a trisubstituted urea by reacting a nitroarene with carbon monoxide and a secondary amine in the presence of a Group VIII transition metal catalyst and optionally one or more promoters selected from primary amines, halide ion-containing compounds, chelating phosphorus and nitrogen compounds, water, hydrogen, compounds containing at least one active hydrogen atom and redox metals.

  在第八族过渡金属催化剂和一种或多种促进剂（选自伯胺、含卤离子化合物、螯合磷和氮化合物、水、氢、含有至少一个活泼氢原子的化合物和氧化还原金属）存在下，使硝基炔与一氧化碳和仲胺反应，制备三取代脲。
• Comparison between SiMe₂ and CMe₂ Spacers as σ-Bridges for Photoinduced Charge Transfer
  作者：Cornelis A. van Walree、Martin R. Roest、Wouter Schuddeboom、Leonardus W. Jenneskens、Jan W. Verhoeven、John M. Warman、Huub Kooijman、Anthony L. Spek

  DOI：10.1021/ja960546e

  日期：1996.1.1

  The potential of dimethylsilylene and isopropylidene sigma-spacers as bridges for photoinduced charge transfer (CT) in 4-cyano-4'-(dimethylamino)- and 4-cyano-4'-methoxy-substituted diphenyldimethylsilanes and 2,2-diphenylpropanes was studied. Fluorescence solvatochromism and time-resolved microwave conductivity measurements show that upon photoexcitation a charge separated state (D(.+)sigma A(.-))* is populated in all compounds. Excited state dipole moments for a given donor-acceptor combination are, irrespective of the bridge, equal. The CT states of the silanes are however lying at lower energies, implying that the presence of silicon thermodynamically facilitates the CT process. Cyclic voltammetry data of model compounds show that this is a consequence of the lowering of the acceptor reduction potential by the silicon bridge. It was however inferred from radiative decay rates that the electronic coupling between the CT and locally excited states as well as the coupling between the ground and CT state is larger for the carbon-bridged compounds. As shown by both solution and solid state electronic spectra and radiative decay rates, the photophysics of the D sigma A compounds are dominated by intensity borrowing of the CT transitions from transitions localized in the D sigma and sigma A chromophores.