1-(4-fluorophenyl)-4-nitro-3-phenyl-butan-1-one | 862201-30-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-(4-fluorophenyl)-4-nitro-3-phenyl-butan-1-one
• 英文别名: 1-(4-fluorophenyl)-4-nitro-3-phenylbutan-1-one
• CAS: 862201-30-7
• 化学式: C₁₆H₁₄FNO₃
• 分子量: 287.29
• InChiKey: VKFYUNNVODDQAU-UHFFFAOYSA-N

物化性质

• 熔点：
  70-71 °C(Solv: ethanol (64-17-5))
• 沸点：
  455.3±45.0 °C(Predicted)
• 密度：
  1.236±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-fluorophenyl)-4-nitro-3-phenyl-butan-1-one 在 氢氧化钾 、 ammonium acetate 、 乙酸酐 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 4.0h， 生成 (3,5-diphenyl-1H-pyrrol-2-yl)-[5-(4-fluoro-phenyl)-3-phenylpyrrol-2-ylidene]-amine
  参考文献：
  名称：

  A Modular Synthesis of Unsymmetrical Tetraarylazadipyrromethenes

  摘要：

  A stepwise route to unsymmetrical tetraarylazadipyrromethenes by a condensation of 2,4-diaryl-5-nitroso-pyrroles with 2,4-diarylpyrroles is described. This modular building-block approach allows for the introduction of up to four different aryl substituents on the azadipyrromethene and is tolerant of a varied substituent set. An efficient synthesis of the 2,4-diarylpyrroles building blocks from 1,3-diaryl-4-nitro-butan-1-ones by nitro hydrolysis to a keto-aldehyde and subsequent ammonia condensation reaction has been achieved. The facile conversion of 2,4-diarylpyrroles into their alpha-nitroso analogues by their reaction with sodium nitrite generated the second building block required for the synthesis.

  DOI：

  10.1021/jo050696k
• 作为产物：
  描述：

  苯甲醛 在 二乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 19.0h， 生成 1-(4-fluorophenyl)-4-nitro-3-phenyl-butan-1-one
  参考文献：
  名称：

  TWI557187

  摘要：

  公开号：

文献信息

• Reaction between 4-Nitro-1,3-diarylbutan-1-ones and Ammonium Acetate in the Presence of Morpholine and Sulfur: An Efficient Synthesis of 2,4-Diarylpyrroles
  作者：Mehdi Adib、Neda Ayashi、Fatemeh Heidari、Peiman Mirzaei

  DOI：10.1055/s-0035-1561852

  日期：——

  An efficient synthesis of 2,4-diarylpyrroles is described. Heating a mixture of a 4-nitro-1,3-diarylbutan-1-one and ammonium acetate in the presence of morpholine and sulfur afforded the corresponding 2,4-diarylpyrroles in excellent yields.

  描述了 2,4-二芳基吡咯的有效合成。在吗啉和硫的存在下加热 4-硝基-1,3-二芳基丁-1-酮和乙酸铵的混合物，以优异的产率得到相应的 2,4-二芳基吡咯。
• NOVEL PHOTOINITIATORS FOR PHOTOPOLYMERS
  申请人：Bayer MaterialScience AG

  公开号：US20150118601A1

  公开（公告）日：2015-04-30

  The present invention relates to novel photopolymer formulation comprising a polyol component, a polyisocyanate component, a writing monomer and a photoinitiator comprising a dye of formula (I). The present invention further relates to a holographic medium which contains a photopolymer formulation of the present invention or is obtainable by using same, to the use of a photopolymer formulation of the present invention for producing holographic media and also to a process for producing a holographic medium by using a photopolymer formulation of the present invention.

  本发明涉及一种新型光聚合物配方，包括聚醇组分、聚异氰酸酯组分、书写单体和一种包含式（I）染料的光引发剂。本发明还涉及一种全息介质，其包含本发明的光聚合物配方或可通过使用同样的配方获得，以及使用本发明的光聚合物配方制造全息介质的方法。
• Photoinitiators for photopolymers
  申请人：Bayer MaterialScience AG

  公开号：US09317012B2

  公开（公告）日：2016-04-19

  The present invention relates to novel photopolymer formulation comprising a polyol component, a polyisocyanate component, a writing monomer and a photoinitiator comprising a dye of formula (I). The present invention further relates to a holographic medium which contains a photopolymer formulation of the present invention or is obtainable by using same, to the use of a photopolymer formulation of the present invention for producing holographic media and also to a process for producing a holographic medium by using a photopolymer formulation of the present invention.

  本发明涉及一种新型光聚合物配方，包括聚醇组分、聚异氰酸酯组分、写入单体和一种含有式(I)染料的光引发剂。本发明还涉及一种全息介质，其含有本发明的光聚合物配方或可通过使用同一得到，以及使用本发明的光聚合物配方制备全息媒体的用途，以及通过使用本发明的光聚合物配方制备全息介质的方法。
• Synthesis of 3,4‐Dihydro‐2 <i>H</i> ‐Pyrroles from Ketones, Aldehydes, and Nitro Alkanes via Hydrogenative Cyclization
  作者：Barbara Klausfelder、Patricia Blach、Niels de Jonge、Rhett Kempe

  DOI：10.1002/chem.202201307

  日期：2022.8.22

  developed and employed for the synthesis of 3,4-dihydro-2H-pyrroles via hydrogenation and subsequent cyclization of nitro ketones. The catalyst was identified from a library of 24 heterogeneous catalysts. The key to our hydrogenation/cyclization reaction is the tolerance of aldehydes and ketones as functional groups and the ability to hydrogenate aliphatic nitro compounds efficiently.

  一种高活性、选择性和可重复使用的镍催化剂已被开发并用于通过硝基酮的氢化和随后的环化合成 3,4-二氢-2 H-吡咯。该催化剂是从 24 种非均相催化剂的库中鉴定出来的。我们的氢化/环化反应的关键是醛和酮作为官能团的耐受性以及高效氢化脂肪族硝基化合物的能力。
• Enantioselective addition of aryl ketones and acetone to nitroalkenes organocatalyzed by carbamate-monoprotected cyclohexa-1,2-diamines
  作者：Jesús Flores-Ferrándiz、Alexander Stiven、Lia Sotorríos、Enrique Gómez-Bengoa、Rafael Chinchilla

  DOI：10.1016/j.tetasy.2015.07.011

  日期：2015.9

  Enantiomerically pure carbamate-monoprotected trans-cyclohexane-1,2-diamines are used as chiral organocatalysts for the addition of aryl ketones and acetone to nitroalkenes to give enantioenriched beta-substituted gamma-nitroketones. The reaction was performed in the presence of 3,4-dimethoxybenzoic acid as an additive, in chloroform as the solvent at room temperature, achieving enantioselectivities up to 96%. Theoretical calculations are used to justify the observed sense of the stereoinduction. (C) 2015 Elsevier Ltd. All rights reserved.