2-(4-nitrophenyl)-2-phenylpropane | 33350-75-3

• 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-(4-nitrophenyl)-2-phenylpropane
• 英文别名: 2-p-Nitrophenyl-2-phenylpropan；NO2-DPP；1-(alpha,alpha-Dimethylbenzyl)-4-nitrobenzene；1-nitro-4-(2-phenylpropan-2-yl)benzene
• CAS: 33350-75-3
• 化学式: C₁₅H₁₅NO₂
• 分子量: 241.29
• InChiKey: PLUFIEMAHLUXSZ-UHFFFAOYSA-N

物化性质

• 沸点：
  359.3±21.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  18
• 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：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-nitrophenyl)-2-phenylpropane 在 palladium on activated charcoal 、 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 2.0h， 以73%的产率得到1-二苯甲基-4-硝基苯
  参考文献：
  名称：

  发现 Apararenone (MT-3995) 作为一种高度选择性、有效的新型非甾体盐皮质激素受体拮抗剂

  摘要：

  盐皮质激素受体 (MR) 的过度激活与许多疾病有关，例如高血压、肾病和心力衰竭。因此，预计 MR 拮抗剂 (MRA) 将对患有这些疾病的患者有益。为了确定能够克服已上市甾体 MRA 问题的新型非甾体 MRA，我们根据我们的假设寻找新的化合物，即具有疏水核心结构的 T 形化合物，两端的两个极性官能团能够与 MR 相互作用，并且可以干扰C-末端螺旋12折叠的庞大取代基可能表现出对MR的拮抗活性。我们发现新型 1,4-benzoxazin-3-one 衍生物19(apararenone: MT-3995) 作为一种高度选择性和有效的非甾体 MRA。在通过在未切除肾的大鼠中注入醛固酮获得的原发性醛固酮增多症大鼠模型中，Apararenone 表现出比甾体 MRA 依普利酮更有效的抗高血压和器官保护活性。

  DOI：

  10.1021/acs.jmedchem.2c00402
• 作为产物：
  描述：

  2,2-二苯基丙烷 在 硝酸 、 乙酸酐 作用下， 生成 2-(4-nitrophenyl)-2-phenylpropane
  参考文献：
  名称：

  硝基苯基（苯基）甲烷的质谱：由间位和对位异构体形成M – 17离子

  摘要：

  所有三种硝基苯基（苯基）甲烷（硝基二苯基甲烷）的质谱图均显示直接由分子离子产生的M – OH物种。在2-异构体的情况下，这几乎完全由邻位取代基之间的预期相互作用引起。氘标记表明，对于4-异构体，羟基自由基中丢失的氢原子主要起源于带有硝基取代基的芳环，并提出了一种机制来解释这一点。M的形成–17离子之后可能会丢失第二个羟基。对2-硝基二苯甲烷的两个氘代类似物的分子离子区域进行研究得出的结论中的差异突出了依靠单一标记化合物光谱中的证据来确定可疑的碎裂模式的危险。还讨论了一些相关化合物的质谱。

  DOI：

  10.1039/j29710001273

文献信息

• The mass spectra of nitrophenyl(phenyl)methanes: the formation of an M–17 ion from the meta- and para-isomers
  作者：G. E. Robinson、C. B. Thomas、J. M. Vernon

  DOI：10.1039/j29710001273

  日期：——

  account for this. The formation of the M–17 ion may be followed by loss of a second hydroxy-group. Discrepancies in the conclusions drawn from a study of the molecular ion region of two deuteriated analogues of 2-nitrodiphenylmethane highlight the danger of relying on evidence from the spectrum of a single labelled compound to confirm a suspected fragmentation mode. The mass spectra of some related compounds

  所有三种硝基苯基（苯基）甲烷（硝基二苯基甲烷）的质谱图均显示直接由分子离子产生的M – OH物种。在2-异构体的情况下，这几乎完全由邻位取代基之间的预期相互作用引起。氘标记表明，对于4-异构体，羟基自由基中丢失的氢原子主要起源于带有硝基取代基的芳环，并提出了一种机制来解释这一点。M的形成–17离子之后可能会丢失第二个羟基。对2-硝基二苯甲烷的两个氘代类似物的分子离子区域进行研究得出的结论中的差异突出了依靠单一标记化合物光谱中的证据来确定可疑的碎裂模式的危险。还讨论了一些相关化合物的质谱。
• 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.
• Ink composition, inkjet recording method, printed material, method for producing planographic printing plate, and planographic printing plate
  申请人：FUJIFILM Corporation

  公开号：EP1988136B1

  公开（公告）日：2010-09-01
• Ink composition, image forming method and printed article
  申请人：Tsujihata Shigetomo

  公开号：US20070004823A1

  公开（公告）日：2007-01-04

  Disclosed are an ink composition comprising at least a colorant (a) and a polymer (b) having a heterocyclic moiety forming a colorant, an image forming method including applying the ink composition to a recording medium by printing and curing the ink composition, and a printed article produced by curing the ink composition.
• INK JET INK COMPOSITION, AND IMAGE FORMATION METHOD AND RECORDED MATERIAL EMPLOYING SAME
  申请人：SANO Shojiro

  公开号：US20080081124A1

  公开（公告）日：2008-04-03

  An inkjet ink composition is provided that includes a polymerizable compound, a photopolymerization initiator, and a metal powder. There is also provided an image formation method that includes an image recording step of recording an image on a recording material by inkjet recording in which the inkjet ink composition is discharged, and an image curing step of curing the image recorded on the recording material in the image recording step by irradiation with actinic radiation. Furthermore, there is provided a recorded material formed by s using the inkjet ink composition.