1,2-Naphthochinon-1-<(4-nitrophenyl)hydrazon> | 93449-57-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,2-Naphthochinon-1-<(4-nitrophenyl)hydrazon>
• 英文别名: 1,2-naphthoquinone-1-(4-nitrophenyl)hydrazone；Para Red；(1Z)-1-[(4-nitrophenyl)hydrazinylidene]naphthalen-2-one
• CAS: 93449-57-1
• 化学式: C₁₆H₁₁N₃O₃
• 分子量: 293.282
• InChiKey: ACHQDMGGRZPFAW-VLGSPTGOSA-N

物化性质

• 沸点：
  489.5±55.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.01
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.6
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1,2-Naphthochinon-1-<(4-nitrophenyl)hydrazon> 生成 (E)-1-(2-(4-nitrophenyl)diazen-1-yl)naphthalen-2-ol
  参考文献：
  名称：

  GORELIK, M. V.;RYBINOV, V. I.;GLADYSHEVA, T. X., ZH. OBSHCH. XIMII, 58,(1988) N0, S. 2360-2370

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-1-(2-(4-nitrophenyl)diazen-1-yl)naphthalen-2-ol 以 四氯化碳 为溶剂， 生成 1,2-Naphthochinon-1-<(4-nitrophenyl)hydrazon>
  参考文献：
  名称：

  取代基和溶剂对苯胺和萘酚偶氮衍生物质子转移平衡的影响。多核核磁共振研究和理论计算

  摘要：

  摘要 在一系列 2-羟基萘-1-甲醛和 2-萘酚的偶氮衍生物中比较了由质子转移引起的互变异构平衡。尽管结构相似，但这些系统对溶液状态的质子转移特性具有不同的取代基影响。比较研究是在各种溶剂中使用 1 H、 13 C 和 15 N NMR 光谱进行的。Hartree-Fock ab initio 计算涉及互变异构体的相对稳定性和基态的完整几何优化，与实验观察结果一致。

  DOI：

  10.1016/s0022-2860(03)00208-4

文献信息

• Waste-Free Chemistry of Diazonium Salts and Benign Separation of Coupling Products in Solid Salt Reactions
  作者：Gerd Kaupp、Andreas Herrmann、Jens Schmeyers

  DOI：10.1002/1521-3765(20020315)8:6<1395::aid-chem1395>3.0.co;2-l

  日期：2002.3.15

  and anilines to give the triazenes. Azo couplings are achieved with quantitative yields by cautious co-grinding of solid diazonium salts with beta-naphthol and C-H acidic heterocycles, such as barbituric acids or pyrazolinones. Solid diazonium salts may be more easily applied in a stoichiometric ratio for couplings in solution. Co-grinding of solid diazonium salts with KI gives quantitative yields of

  气固和固固技术可在重氮盐化学过程中实现无浪费的定量合成。研究了用反应性气体NO（2），NO和NOCl重氮化的五种技术。两种类型通过原子力显微镜（AFM）进行了机械研究，并根据已知的晶体堆积进行了解释。相同的原理适用于由一步反应衍生的级联反应。固体重氮盐与固体二苯胺和苯胺定量偶合，得到三氮烯。偶氮偶联通过定量重磨固体重氮盐与β-萘酚和CH酸性杂环（如巴比妥酸或吡唑啉酮）而定量获得。固体重氮盐可以化学计量比更容易地用于溶液中的偶联。固体重氮盐与KI共同研磨可定量获得各种固体芳基碘化物。盐反应中不可避免的偶合产物以高度良性的方式从不溶性产物中完全分离出来。固态反应优于产生大量废料的类似溶液反应。用IR和NMR光谱及质谱法阐明了产物的结构，同时用B3LYP / 6-31G *和BLYP / 6-31G **水平的密度泛函计算研究了化合物的互变异构性质。固态反应优于产生大量废料的类似溶液反应。用IR
• Synthesis, Crystal Structure, Hirshfeld Surface Analysis and DFT Studies of (Z)-1-(2-(4-Nitrophenyl)Hydrazineylidene)Naphthalen-2(1H)-One
  作者：I. Yildirim Gümüşhan

  DOI：10.1134/s0022476623080085

  日期：2023.8

  Abstract A new Schiff base compound, (Z)-1-(2-(4-nitrophenyl)hydrazineylidene)naphthalen-2(1H)-one, was prepared and structurally characterized by single-crystal X-ray diffraction. The compound crystallizes in the P2/n monoclinic space group with a = 15.9421(6) Å, b = 7.7607(3) Å, c = 21.8052(9) Å, and β = 92.946(3)°. The molecular geometry of the compound was optimized using density functional theory

  摘要 制备了一种新的席夫碱化合物( Z )-1-(2-(4-硝基苯基)亚肼基)萘-2(1H ) -酮，并通过单晶X射线衍射对其结构进行了表征。该化合物在P 2/ n单斜空间群中结晶，a  = 15.9421(6) Å, b  = 7.7607(3) Å, c = 21.8052(9) Å，β = 92.946(3)°。使用 HSEH1PBE/cc-pvdz 水平的密度泛函理论计算优化了化合物的分子几何形状。对该化合物的赫什菲尔德表面分析进行了介绍和讨论。计算结果表明理论几何参数与实验结果一致。计算和实验结果表明标题化合物倾向于腙(NH)形式。晶体结构的稳定是通过分子内N-H⋯O和分子间C-H⋯O相互作用实现的。
• Methods for coating surfaces with antimicrobial agents
  申请人：The Board of Regents of the University of Texas System

  公开号：US10589003B2

  公开（公告）日：2020-03-17

  Disclosed are methods for coating or impregnating a surface with an antimicrobial agent that involve contacting the surface with a composition that includes an antimicrobial agent and a solvent, and curing the surface by applying heat. Also disclosed are methods for reducing the risk of development or progression of an infection in a subject in need of a medical device, that involve coating or impregnating a surface of the medical device with an antimicrobial agent and then curing the surface by applying heat, wherein the risk of development or progression of an infection is reduced.

  本发明公开了用抗菌剂涂覆或浸渍表面的方法，包括用包括抗菌剂和溶剂的组合物接触表面，并通过加热固化表面。还公开了降低需要使用医疗器械的受试者发生或恶化感染风险的方法，包括用抗菌剂涂覆或浸渍医疗器械表面，然后通过加热固化表面，从而降低发生或恶化感染的风险。
• Methods for coating and impregnating medical devices with antiseptic compositions
  申请人：Raad Issam

  公开号：US20050197634A1

  公开（公告）日：2005-09-08

  The present invention provides methods of coating or impregnating medical devices with an antiseptic composition that will inhibit or prevent the nosocomial infections typically associated with the use of such medical devices. The present invention further provides methods of coating or impregnating medical devices that produce devices with effective activity against infection, while avoiding destroying the devices or causing the devices to become toxic. In addition, the invention provides medical devices coated or impregnated with antiseptic compositions by the aforementioned novel methods.
• METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS
  申请人：RAAD ISSAM

  公开号：US20070154621A1

  公开（公告）日：2007-07-05

  Disclosed are methods for coating or impregnating a surface with an antimicrobial agent that involve contacting the surface with a composition that includes an antimicrobial agent and a solvent, and curing the surface by applying heat. Also disclosed are methods for reducing the risk of development or progression of an infection in a subject in need of a medical device, that involve coating or impregnating a surface of the medical device with an antimicrobial agent and then curing the surface by applying heat, wherein the risk of development or progression of an infection is reduced.