(E)-1-(but-1-en-1-yl)-4-nitrobenzene | 49800-74-0

• 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: (E)-1-(but-1-en-1-yl)-4-nitrobenzene
• 英文别名: 1-[(E)-but-1-enyl]-4-nitrobenzene
• CAS: 49800-74-0
• 化学式: C₁₀H₁₁NO₂
• 分子量: 177.203
• InChiKey: QCTOLAWHEOBYBH-ONEGZZNKSA-N

物化性质

• 沸点：
  256.4±9.0 °C(Predicted)
• 密度：
  1.116±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-1-(but-1-en-1-yl)-4-nitrobenzene 在 氯化铵 、 溶剂黄146 、 锌 、 sodium nitrite 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 23.5h， 生成 4-(4'-aminophenyl)-4-ethyl-1,2,5-oxadiazole
  参考文献：
  名称：

  Synthesis and methemoglobinemia-inducing properties of benzocaine isosteres designed as humane rodenticides

  摘要：

  A number of isosteres (oxadiazoles, thiadiazoles, tetrazoles and diazines) of benzocaine were prepared and evaluated for their capacity to induce methemoglobinemia-with a view to their possible application as humane pest control agents. It was found that an optimal lipophilicity for the formation of methemoglobin (metHb) in vitro existed within each series, with 1,2,4-oxadiazole 3 (metHb% = 61.0 +/- 3.6) and 1,3,4-oxadiazole 10 (metHb% = 52.4 +/- 0.9) demonstrating the greatest activity. Of the 5 candidates (compounds 3, 10, 11, 13 and 23) evaluated in vivo, failure to induce a lethal end-point at doses of 120 mg/kg was observed in all cases. Inadequate metabolic stability, particularly towards hepatic enzymes such as the CYPs, was postulated as one reason for their failure. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.02.013
• 作为产物：
  描述：

  (E)-2-(but-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 、 1-溴-4-硝基苯 在 2-双环己基膦-2',6'-二甲氧基联苯 、 potassium phosphate 、 palladium diacetate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 16.0h， 以66%的产率得到(E)-1-(but-1-en-1-yl)-4-nitrobenzene
  参考文献：
  名称：

  Ru催化ω-烯基硼酸酯的异构化反应对乙烯基硼酸酯的立体选择性合成以及随后的原位官能化

  摘要：

  通过钌催化的异构化反应，可以从ω-烯基硼酸酯中立体选择性地制备合成用途的乙烯基硼酸酯。可以方便地生产各种二取代和三取代的乙烯基硼酸酯，它们可以用作随后通过连续Ru / Pd或Ru / Cu双催化系统进行原位远程官能化的新起点。

  DOI：

  10.1039/d0sc02542a

文献信息

• Copper-Catalyzed Intermolecular Hydroamination of Arylamines or Aza-Heterocycles with Nitrostyrene Derivatives
  作者：Subin Park、Seongil Kang、Yunmi Lee

  DOI：10.1002/adsc.201801582

  日期：2019.3.5

  A new copper‐catalyzed protocol for the intermolecular anti‐Markovnikov addition of arylamines or heterocycles to terminal and unsymmetrical 1,2‐disubstituted vinylarenes has been developed. The direct hydroamination is catalyzed by a readily available N‐heterocyclic carbene‐based copper complex and KOt‐Bu, and the use of MeOH as an additive enhances the reactivity. The method provides a broad range

  已经开发出了一种新的铜催化方案，用于将芳胺或杂环分子间反马氏化学加成到末端和不对称的1,2-二取代的乙烯基芳烃上。直接加氢胺化反应由易于获得的N杂环卡宾铜络合物和KO t Bu催化，使用MeOH作为添加剂可提高反应活性。该方法以良好至优异的产率提供了多种带有各种官能团的新型和通用的胺化合物。
• Shifting Chemical Equilibria in Flow-Efficient Decarbonylation Driven by Annular Flow Regimes
  作者：Bernhard Gutmann、Petteri Elsner、Toma Glasnov、Dominique M. Roberge、C. Oliver Kappe

  DOI：10.1002/anie.201407219

  日期：2014.10.20

  chemical reactions, it is often necessary to influence an equilibrium by removing one or more components from the reaction space. Such manipulation is straightforward in open systems, for example, by distillation of a volatile product from the reaction mixture. Herein we describe a unique high‐temperature/high‐pressure gas/liquid continuous‐flow process for the rhodium‐catalyzed decarbonylation of

  为了有效地驱动化学反应，通常需要通过从反应空间中除去一种或多种组分来影响平衡。这样的操作在开放系统中是直接的，例如通过蒸馏反应混合物中的挥发性产物。在本文中，我们描述了铑催化醛的脱羰作用的独特的高温/高压气/液连续流工艺。反应期间释放的一氧化碳与惰性气体流一起通过管道的中心，而液体进料则以环形薄膜的形式沿通道壁行进。结果，一氧化碳有效地从液相蒸发成气相，并从反应混合物中汽提，因此推动了产物的平衡并防止了催化剂中毒。通过标准的基于盘管的流量装置，该方法可实现多种醛的催化脱羰，效率空前。
• a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF
  申请人：NORTHWEST UNIVERSITY

  公开号：US20170260122A1

  公开（公告）日：2017-09-14

  The present invention relates to α-asary-laldehyde ester, a preparation method therefor, and an application thereof. The chemical structure of the related α-asary-laldehyde ester is represented by formula I. A related application is an application of the compound in preparation of drugs for calming, mind tranquillizing, senile dementia resisting, convulsion resisting, epilepsy resisting and depression resisting.

  本发明涉及α-沙尼醛酯、其制备方法及其应用。相关α-沙尼醛酯的化学结构由式I表示。相关应用是将该化合物用于制备镇静、安神、抗老年性痴呆、抗惊厥、抗癫痫和抗抑郁药物。
• Compounds inducing differentiation of myoblasts or muscle fibers into neuron cells, pharmaceutical composition including said compounds, a method for inducing neuron differentiation and a screening method for identifying additional compounds useful for inducing neuron differentiation
  申请人：Shin In-Jae

  公开号：US20070123576A1

  公开（公告）日：2007-05-31

  The present invention relates to compounds inducing differentiation of myoblasts or muscle fibers into neuron cells, pharmaceutical composition including said compounds, a method for inducing neuron differentiation and a screening method for identifying additional compounds useful for inducing neuron differentiation. More specifically, it relates to compounds that induce neuron differentiation from myoblasts or muscle fibers, all pharmaceutically acceptable isomers, salts, hydrates, solvates and prodrugs thereof, the method of inducing differentiation of myoblasts or muscle fibers into neuron cells by treating myoblasts and muscle fibers with a compound of the present invention, whereby the myoblasts and muscle fibers differentiate into neuron cells, and the screening method for identifying additional compounds useful for inducing neuron differentiation, wherein myoblasts and muscle fibers are incubated with a compound of the present invention and detected.

  本发明涉及诱导肌母细胞或肌纤维分化为神经元细胞的化合物、包括该化合物的制药组合物、诱导神经元分化的方法以及用于识别其他有用的诱导神经元分化的化合物的筛选方法。更具体地说，涉及诱导神经元分化的化合物，包括肌母细胞或肌纤维的所有药学上可接受的异构体、盐、水合物、溶剂化合物和前药，通过用本发明的化合物处理肌母细胞和肌纤维来诱导肌母细胞和肌纤维分化为神经元细胞的方法，并且用于识别其他有用的诱导神经元分化的化合物的筛选方法，其中肌母细胞和肌纤维与本发明的化合物孵育并检测。
• CATHEPSIN S INHIBITORS
  申请人：Lin Chun-Cheng

  公开号：US20110166141A1

  公开（公告）日：2011-07-07

  Cathepsin S inhibitors having formula (I), (II), (III) or (IV) as shown in the specification. These inhibitors can be used to treat cancer and autoimmune/inflammatory diseases.

  具有(I)、(II)、(III)或(IV)公式的卡特普西林S抑制剂，如规范所示。这些抑制剂可用于治疗癌症和自身免疫/炎症性疾病。