乙酸-(4-溴-5-甲基-2-硝基-苯胺) | 716-65-4

• 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: 乙酸-(4-溴-5-甲基-2-硝基-苯胺)
• 英文名称: N-(4-bromo-5-methyl-2-nitrophenyl)acetamide
• 英文别名: 2-Nitro-4-bromo-5-methylacetanilide；acetic acid-(4-bromo-5-methyl-2-nitro-anilide)；Essigsaeure-(4-brom-5-methyl-2-nitro-anilid)；6-Brom-4-nitro-3-acetamino-toluol
• CAS: 716-65-4
• 化学式: C₉H₉BrN₂O₃
• 分子量: 273.086
• InChiKey: AQJRLODPFRPDNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙酸-(4-溴-5-甲基-2-硝基-苯胺) 生成 1-溴-4-氯-2-甲基-5-硝基-苯
  参考文献：
  名称：

  核黄素类似物7-Bromo-8-甲基1-10-（1-D-核糖基）异恶嗪的合成及生物活性。

  摘要：

  DOI：

  10.1021/jm00322a011
• 作为产物：
  描述：

  4-溴-3-甲基乙酰苯胺 生成 乙酸-(4-溴-5-甲基-2-硝基-苯胺)
  参考文献：
  名称：

  核黄素类似物7-Bromo-8-甲基1-10-（1-D-核糖基）异恶嗪的合成及生物活性。

  摘要：

  DOI：

  10.1021/jm00322a011

文献信息

• Transition-metal-free mono- or dinitration of protected anilines
  作者：Enrui Dai、Yongrui Dong、Rui Kong、Guangzhang Liu、Ying Dong、Qiong Wu、Deqiang Liang、Yinhai Ma

  DOI：10.1080/00397911.2020.1752730

  日期：2020.6.2

  Abstract An amide-assisted arene nitration is presented, and both mono- and dinitration of protected anilines could be effected by using NaNO2 and NaNO3 as the mono- and bisnitrating agents, respectively. This divergent synthesis is transition-metal- and acid-free, and features a broad substrate scope, low cost, and ortho–para selectivity. Graphical Abstract

  摘要 提出了酰胺辅助芳烃硝化，分别使用NaNO2和NaNO3作为单硝化剂和双硝化剂，可以实现受保护苯胺的单硝化和二硝化。这种发散合成不含过渡金属和酸，具有广泛的底物范围、低成本和邻位选择性。图形概要
• Benzimidazoles
  申请人：Edwards L. Michael

  公开号：US20060014756A1

  公开（公告）日：2006-01-19

  The invention is directed to physiologically active compounds of the general formula (Ix) and compositions containing such compounds, and their prodrugs, and pharmaceutically acceptable salts and solvates of such compounds and their prodrugs, as well as to novel compounds within the scope of formula (Ix), and to processes for their preparation. Such compounds and compositions have valuable pharmaceutical properties, in particular the ability to inhibit kinases.

  本发明涉及一般式（Ix）的生理活性化合物及含有这种化合物的组合物，以及它们的前药、药学上可接受的盐和溶剂化物，还涉及在式（Ix）范围内的新化合物和它们的制备方法。这种化合物和组合物具有有价值的药物性质，特别是抑制激酶的能力。
• Cohen; Dutt, Journal of the Chemical Society, 1914, vol. 105, p. 514
  作者：Cohen、Dutt

  DOI：——

  日期：——
• Thiophene-Fused Benzothiadiazole: A Strong Electron-Acceptor Unit to Build D–A Copolymer for Highly Efficient Polymer Solar Cells
  作者：Pengcheng Zhou、Zhi-Guo Zhang、Yongfang Li、Xingguo Chen、Jingui Qin

  DOI：10.1021/cm501052a

  日期：2014.6.10

  A novel strong electron-acceptor, thieno[2,3-f-]-2,1,3-benzothiadiazole-6-carboxylate (BTT), was first designed and synthesized. By introducing two thienyl groups into BTT and then copolymerizing with thienyl group substituted benzo[1,2-b:4,5-b']dithiophene (BDTT) unit, a low band gap D A copolymer (PBTT-TBDTT) was obtained. Compared with its polymer analogue (PBT-TBDTT) with benzothiadiazole (BT) as an acceptor, PBTT-TBDTT exhibits stronger intramolecular charge transfer. Thus, it shows much broader absorption covering almost the whole visible light region (in the range of 300-850 nm) and narrower optical band gap around 1.45 eV with a large IP (ionization potential) at 5.35 eV. The maximum efficiency of PBTT-TBDTT based device reaches 6.07% which is much higher than that of PBT-TBDTT (3.24%), indicating that BTT unit is a promising electron-acceptor moiety to construct low band gap D A copolymers for PSCs with high photovoltaic performances.
• Contribution à l'étude des dérivés nitro-aminés de l'acide o-bromo-benzoïque
  作者：Henri Goldstein、Gaston Preitner

  DOI：10.1002/hlca.194402701114

  日期：——