2-溴-3-硝基苯甲醛 | 90407-21-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-溴-3-硝基苯甲醛
• 英文名称: 2-bromo-3-nitrobenzaldehyde
• CAS: 90407-21-9
• 化学式: C₇H₄BrNO₃
• 分子量: 230.018
• InChiKey: ZAYPDOMLBUBLDN-UHFFFAOYSA-N

物化性质

• 沸点：
  276.9±25.0 °C(Predicted)
• 密度：
  1.781±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2913000090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302+H312+H332,H315,H319,H335
• 储存条件：
  温度：2-8℃，保持在惰性气体氛围中。

反应信息

• 作为反应物：
  描述：

  2-溴-3-硝基苯甲醛 在 异丙醇 作用下， 反应 12.0h， 生成 2-溴-3-(羟甲基)-1-硝基苯
  参考文献：
  名称：

  金属有机框架封装的CoCu纳米粒子用于硝基苯甲醛的选择性转移加氢：通过半注入法进行工程活性装甲

  摘要：

  由金属-有机骨架（MOF）封装的具有Fe 3 O 4核（Fe 3 O 4 @SiO 2 -NH 2 -CoCu @ UiO-66）的新型盔甲型复合材料CoCu纳米粒子已通过设计和合成。半注入法，成功地用作选择性转移氢化的有效且可回收的催化剂。在这种中途注入方法中，合成前的Fe 3 O 4 @SiO 2 -NH 2在MOF萌芽期的中途，将CoCo注入UiO-66前体溶液中。形成的MOF装甲可以起到以下作用：除CoCu纳米颗粒外，还提供大量其他催化位点，保护CoCu纳米颗粒并提高催化剂稳定性，从而促进硝基苯甲醛以高选择性（99％）和转化率选择性转移氢化为相应的硝基苄醇（ 99％）而不是硝基还原产物。值得注意的是，该方法可实现MOF封装复合材料的精确组装，并且MOF和纳米颗粒的巧妙结合在选择性氢转移反应中显示出出色的催化性能，在催化中实现了“ 1 + 1> 2”策略。

  DOI：

  10.1002/chem.202003857
• 作为产物：
  描述：

  2-溴-3-硝基甲苯 在 chromium(VI) oxide 、 硫酸 、 乙酸酐 、 水 作用下， 反应 4.5h， 以39%的产率得到2-溴-3-硝基苯甲醛
  参考文献：
  名称：

  Synthesis, biological assessment and molecular modeling of new dihydroquinoline-3-carboxamides and dihydroquinoline-3-carbohydrazide derivatives as cholinesterase inhibitors, and Ca channel antagonists

  摘要：

  The synthesis, biological evaluation, and molecular modeling of new 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamides(4), 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide (6), and some hexahydropyrimido[5,4-c]quinoline-2,5-diones (9) produced earlier by our laboratory, as AChE/BuChE inhibitors, is described. From these analyses compound 4c resulted equipotent regarding the inhibition of cholinesterases'; inhibitors 6k, 9a, 9b were selective for AChE, whereas product 4d proved selective for BuChE. Docking analysis has been carry out in order to identify the binding mode in the active site, and to explain the observed selectivities. Only compound 9a has been shown to decrease K+-induced calcium signals in bovine chromaffin cells. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.08.054
• 作为试剂：
  描述：

  在 sodium hexamethyldisilazane 、 2-溴-3-硝基苯甲醛 作用下， 以 四氢呋喃 为溶剂， 反应 84.0h， 以75%的产率得到1-bromo-2-[2-(2-bromo-3-nitropheneyl)vinyl]-8-nitronaphthalene
  参考文献：
  名称：

  유기발광 화합물 및 이를 포함하는 유기전계발광소자

  摘要：

  This is a patent related to organic light-emitting compounds represented by the following [Chemical Formula 1] and organic electroluminescent devices containing them. The organic electroluminescent device containing the organic light-emitting compound according to the present invention has excellent luminance and luminous efficiency, and can be driven at low voltage, thereby having improved power efficiency. [Chemical Formula 1]

  公开号：

  KR102169446B1

文献信息

• Hydroxyl Assisted Rhodium Catalyst Supported on Goethite Nanoflower for Chemoselective Catalytic Transfer Hydrogenation of Fully Converted Nitrostyrenes
  作者：Zenan Hu、Yongjian Ai、Lei Liu、Junjie Zhou、Gang Zhang、Hongqi Liu、Xiangyu Liu、Zhibo Liu、Jianshe Hu、Hong‐bin Sun、Qionglin Liang

  DOI：10.1002/adsc.201801611

  日期：2019.7.2

  reaction duration. The catalytic selectivity for the reduction of the nitro group towards vinyl group was investigated by the control experiments and FT‐IR analysis. We have found that the abundant hydroxyl groups in the α‐FeOOH may contribute to the improvement of catalytic activity and selectivity. Furthermore, the catalyst exhibits excellent stability and keeps its catalytic performance even after

  化学选择性的控制对于还原带有一个或多个不饱和基团的硝基芳烃是一个特殊的挑战。在这里，我们报道了一种花状的Rh /α-FeO​​OH催化剂，用于将硝基苯乙烯化学选择性加氢为乙烯基苯胺，使其完全转化，这对新型功能化的氨基苯乙烯很有好处，因为多取代的氨基苯乙烯通常在市场上无法买到。该催化剂不仅显示出对乙烯基苯胺的期望的选择性，而且在宽的反应持续时间内对各种其他可还原基团表现出惰性。通过控制实验和FT-IR分析研究了硝基还原为乙烯基的催化选择性。我们发现，α-FeO​​OH中丰富的羟基可能有助于提高催化活性和选择性。
• Visible light photoredox catalyzed deprotection of 1,3-oxathiolanes
  作者：Mingyang Yang、Zhimin Xing、Bowen Fang、Xingang Xie、Xuegong She

  DOI：10.1039/c9ob02517k

  日期：——

  A mild and efficient visible light photoredox catalyzed aerobic deprotection of 1,3-oxathiolanes using Eosin Y as a photocatalyst is disclosed.

  公开了一种温和且有效的可见光光氧化还原催化空气氧化的1,3-氧硫杂环戊烷去保护方法，使用曙红Y作为光催化剂。

• Silver-Mediated Synthesis of Substituted Benzofuran- and Indole-Pyrroles via Sequential Reaction of <i>ortho</i>-Alkynylaromatics with Methylene Isocyanides
  作者：Jian-Quan Liu、Xinyi Chen、Andrey Shatskiy、Markus D. Kärkäs、Xiang-Shan Wang

  DOI：10.1021/acs.joc.9b00528

  日期：2019.7.19

  -yl)phenols or 2-ethynyl-3-(1-hydroxyprop-2-yn-1-yl)anilines and methylene isocyanides has been developed. A sequential 5-endo-dig cyclization and [3 + 2] cycloaddition process is proposed. This synthetic strategy is atom- and step-efficient and applicable to a broad scope of substrates, allowing the synthesis of valuable substituted benzofuran- and indole-pyrroles in moderate to high yields.

  2-乙炔基-3-（1-羟基丙-2-yn-1-基）苯酚或2-乙炔基-3-（1-羟基丙-2-yn-1-基）苯胺与亚甲基异氰化物之间的银介导反应已经被开发出来。提出了一个顺序的5- endo - dig环化和[3 + 2]环加成过程。这种合成策略具有原子效率和分步效率，适用于广泛范围的底物，可以中等至高收率合成有价值的取代苯并呋喃和吲哚吡咯。
• FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS
  申请人：Cardurion Pharmaceuticals, LLC

  公开号：US20220098207A1

  公开（公告）日：2022-03-31

  The present invention provides a fused heteroaryl compound having a CaMKII inhibitory action, which is expected to be useful as an agent for the prophylaxis or treatment of cardiac diseases (particularly catecholaminergic polymorphic ventricular tachycardia, postoperative atrial fibrillation, heart failure, fatal arrhythmia) and the like. The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the description, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有CaMKII抑制作用的融合杂环芳基化合物，预计可用作心脏疾病（特别是儿茶酚胺多形性室性心动过速、术后房颤、心力衰竭、致命性心律失常）的预防或治疗药物。本发明涉及一种由以下式（I）表示的化合物：其中每个符号如描述中定义，或其药学上可接受的盐。
• Photoluminescent selenospirocyclic and selenotetracyclic derivatives by domino reactions of amines and imines
  作者：Vijay P. Singh、Harkesh B. Singh、Ray J. Butcher

  DOI：10.1039/c1cc12152a

  日期：——

  Novel photoluminescent selenospirocyclic and selenotetracyclic compounds, stabilized by intramolecular secondary Se⋯O interactions with an ortho-nitro group, have been accessed successfully through domino reactions of amines and imines, respectively.

  通过胺和亚胺的多米诺反应，我们成功地获得了新型光致发光硒螺环和硒四环化合物，它们通过分子内二级 Se⋯O 与正硝基的相互作用而得到稳定。