1-benzoyl-pyridinium | 20655-48-5

• 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: 1-benzoyl-pyridinium
• 英文别名: Phenyl(pyridin-1-ium-1-yl)methanone
• CAS: 20655-48-5
• 化学式: C₁₂H₁₀NO
• 分子量: 184.218
• InChiKey: GGTBRAZAOSOMIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  21
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-benzoyl-pyridinium 在 C₄₀H₄₀FeP₂ 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 phenyl(4H-pyridin-1-yl)methanone 、 N-Benzoyl-1,2-dihydropyridine
  参考文献：
  名称：

  氢化物从铁（II）化合物到NAD（P）+类似物的转移

  摘要：

  Iron(II) hydride complexes of the "piano-stool" type, Cp*(P-P)FeH (P-P = dppe (1H) dppbz (2H), dppm (3H), dcpe (4H)) were examined as hydride donors in the reduction of N-benzylpyridinium and acridinium salts. Two pathways of hydride transfer, "single-step H-" transfer to pyridinium and a "two-step (e(-)/H-center dot)" transfer for acridinium reduction, were observed. When 1-benzylnicotinamide cation (BNA(+)) was used as an H- acceptor, kinetic studies suggested that BNA(+) was reduced at the C6 position, affording 1,6-BNAH, which can be converted to the more thermally stable 1,4-product. The rate constant k of H- transfer was very sensitive to the bite angle of P-Fe-P in Cp*(P-P)FeH and ranged from 3.23 X 10(-3) M-1 s(-1) for dppe to 1.74 X 10(-1) M-1 s(-1) for dppm. The results obtained from reduction of a range of N-benzylpyridinium derivatives suggest that H- transfer is more likely to be charge controlled. In the reduction of 10-methylacridinium ion (Acr(+)), the reaction was initiated by an e(-) transfer (ET) process and then followed by rapid disproportionation reactions to produce Acr(2) dimer and release of H-2. To achieve H-center dot transfer after ET from [Cp*(P-P)FeH](+) to acridine radicals, the bulkier acridinium salt 9-phenyl-10-methylacridinium (PhAcr(+)) was selected as an acceptor. More evidence for this "two-step (e(-)/H-center dot)" process was derived from the characterization of PhAcr(center dot) and [4H](+) radicals by EPR spectra and by the crystallographic structure confirmation of [4H](+). Our mechanistic understanding of fundamental H- transfer from iron(II) hydrides to NAD(+) analogues provides insight into establishing attractive bio-organometallic transformation cycles driven by iron catalysis.

  DOI：

  10.1021/acs.organomet.6b00179
• 作为产物：
  描述：

  以 水 、 二甲基亚砜 为溶剂， 以100%的产率得到1-benzoyl-pyridinium
  参考文献：
  名称：

  亲电中心由C O改变为C S对速率和机理的影响：O -2,4-二硝基苯基亚硫代苯甲酸酯的吡啶解及其氧类似物

  摘要：

  已分光光度法测定了O -2,4-二硝基苯基硫代苯甲酸酯（1）和2,4-二硝基苯基苯甲酸酯（2）与一系列取代吡啶在80 mol％H 2 O / 20 mol中的反应的二级速率常数在25.0±0.1°C下的％DMSO。得到的布朗斯台德型曲线是非线性的β 1 = 0.26，β 2 = 1.07，且p ķ一个°= 7.5的反应1和β 1 = 0.40，β 2 = 0.90，且p ķ一个°= 9.5 2的反应，表明1和图2所示的流程通过两性离子四面体中间体T ±进行，其中速率确定步骤的变化分别在p K a °= 7.5和9.5处进行。除了与所研究的最强碱性吡啶的反应（p K a = 11.30）以外，硫代磺酸酯1比其氧类似物2具有更高的反应性。所述ķ 1值是用于的反应中较大的1比那些的2在低p- ķ一个区域，但在差ķ 1值变得可忽略随吡啶的碱性。另一方面，1在低p K a区域中，K 2 / k -

  DOI：

  10.1021/jo0492160

文献信息

• [EN] BLUE LUMINESCENT COMPOUNDS<br/>[FR] COMPOSÉS LUMINESCENTS BLEUS
  申请人：DU PONT

  公开号：WO2013163019A1

  公开（公告）日：2013-10-31

  There is provided a compound having Formula (I) In the formula: R1-4 are the same or different and are H, D, alkyl, silyl, aryl, deuterated alkyl, deuterated silyl, deuterated aryl, or an electron-withdrawing group; R5 is H, D, alkyl, aryl, deuterated alkyl, or deuterated aryl; and R6-R9 are the same or different and are H, D, alkyl, silyl, aryl, deuterated alkyl, deuterated silyl, or deuterated aryl. At least one of R1-4 is an electron-withdrawing group.

  提供一种具有化学式（I）的化合物。在公式中：R1-4相同或不同，可以是H、D、烷基、硅基、芳基、氘代烷基、氘代硅基、氘代芳基或者电子吸引基团；R5是H、D、烷基、芳基、氘代烷基或氘代芳基；R6-R9相同或不同，可以是H、D、烷基、硅基、芳基、氘代烷基、氘代硅基或氘代芳基。R1-4中至少有一个是电子吸引基团。
• Can Transacylation Reactions Occur via S_N2 Pathways in the Gas Phase? Insights via Ion−Molecule Reactions of <i>N</i>-Acylpyridinium Ions and <i>ab Initio</i> Calculations
  作者：Richard A. J. O'Hair、N. K. Androutsopoulos

  DOI：10.1021/ol006060r

  日期：2000.8.1

  [reaction: see text]The gas-phase identity exchange reactions of N-acylpyridinium ions with pyridine have been examined experimentally in an ion trap mass spectrometer through the use of isotope labeling experiments. The nature of the acyl group plays a crucial role, with the bimolecular rates following the order acetyl > benzoyl > N,N-dimethylaminocarbamyl. The experimental results correlate with

  [反应：见正文]已通过同位素标记实验在离子阱质谱仪中对N-酰基吡啶鎓离子与吡啶的气相身份交换反应进行了研究。酰基的性质起着至关重要的作用，其双分子速率遵循乙酰基>苯甲酰基> N，N-二甲基氨基氨基甲酰基的顺序。实验结果与在简单模型系统RC（O）NH3 + + NH3上从头算起的计算有关，这也表明这些过程是“类似于SN2”的过程。
• Photopolymerizable composition and recording material
  申请人：Fuji Photo Film Co., Ltd.

  公开号：EP1298490A2

  公开（公告）日：2003-04-02

  The present invention provides a photopolymerizable composition containing a polymerizable compound having an ethylenically unsaturated bond, a compound represented by the following general formula (I), and a radical generating agent capable of generating a radical by interacting with the compound represented by the following general formula (I). General Formula (I); In the general formula (I), R1, R2, and R3 each individually represent a hydrogen atom or a monovalent substituent; R4 represents at least one member selected from the group consisting of: a hydrogen atom, an aliphatic group, an aromatic group, and a heterocyclic group; Z1 represents a substituent necessary for allowing the compound represented by the general formula (I) to become a dye; and X- represents a group capable of forming an anion. The invention also provides a recording material in which a recording layer containing the photopolymerizable composition is provided on a support.

  本发明提供了一种可光聚合组合物，该组合物含有一种具有乙烯不饱和键的可聚合化合物、一种由以下通式(I)表示的化合物，以及一种能够通过与以下通式(I)表示的化合物相互作用而生成自由基的自由基生成剂。通式（I）； 在通式（I）中，R1、R2 和 R3 分别代表氢原子或一价取代基；R4 代表至少一个选自氢原子、脂肪族基团、芳香族基团和杂环基团的成员；Z1 代表使通式（I）所代表的化合物成为染料所必需的取代基；X- 代表能够形成阴离子的基团。本发明还提供了一种记录材料，在该记录材料中，含有可光聚合组合物的记录层被设置在支持物上。
• Ink jet recording medium and ink jet recording method
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：EP1426194A2

  公开（公告）日：2004-06-09

  An ink jet recording medium containing a support and an ink receiving layer on the support, in which the ink receiving layer includes at least a complex formed from a metal with a valence of two or more and an acidic group-containing compound having a substituent group containing a nitrogen atom, an oxygen atom or a sulfur atom. The acidic group-containing compound is preferably a compound represented by the following general formula (I).

  一种喷墨记录介质，包含一个支撑体和支撑体上的油墨接收层，其中油墨接收层至少包括一个由价数为 2 或 2 价以上的金属和一个具有含氮原子、氧原子或硫原子的取代基的含酸性基团化合物形成的络合物。含酸性基团的化合物最好是由以下通式(I)表示的化合物。
• Cyanine-based organic dyes, photopolymerizable compositions, and recording materials
  申请人：——

  公开号：US20020051926A1

  公开（公告）日：2002-05-02

  A novel cyanine-based dye, a photopolymerizable composition having high sensitivity not only to ultraviolet light but also to visible-to-infrared light, and a recording material which is excellent in sensitivity and decolorization in background and which can form sharp, high-contrast images. The cyanine-based dye is an organic dye represented by the following general formula (3). The photopolymerizable composition contains a polymerizable compound having an ethylenically unsaturated bond, a compound represented by the following general formula (1), and a radical generator capable of generating a radical by interacting with that compound: 1

  一种新颖的氰基染料，一种不仅对紫外线而且对可见光到红外线都具有高灵敏度的可光聚合组合物，以及一种在灵敏度和背景脱色方面都很出色并能形成清晰、高对比度图像的记录材料。氰基染料是由以下通式（3）表示的有机染料。可光聚合组合物包含一种具有乙烯不饱和键的可聚合化合物、一种由下式通式（1）表示的化合物和一种能通过与该化合物相互作用产生自由基的自由基发生器： 1