1-(5-甲氧基-2-硝基苯基)丙-2-烯-1-醇 | 162927-72-2

• 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: 1-(5-甲氧基-2-硝基苯基)丙-2-烯-1-醇
• 英文名称: 1-(5-Methoxy-2-nitro-phenyl)-prop-2-en-1-ol
• 英文别名: 1-(5-Methoxy-2-nitrophenyl)prop-2-en-1-ol
• CAS: 162927-72-2
• 化学式: C₁₀H₁₁NO₄
• 分子量: 209.202
• InChiKey: HKNLIHWGGPKPMC-UHFFFAOYSA-N

物化性质

• 沸点：
  367.4±42.0 °C(Predicted)
• 密度：
  1.245±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  75.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(5-甲氧基-2-硝基苯基)丙-2-烯-1-醇 在 palladium on activated charcoal jones reagent 、 氢气 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 4.17h， 生成 2'-amino-5'-methoxypropiophenone
  参考文献：
  名称：

  Concise total syntheses of dl-camptothecin and related anticancer drugs

  摘要：

  DOI：

  10.1021/jo00055a012
• 作为产物：
  描述：

  5-甲氧基-2-硝基苯甲醛 、 乙烯基氯化镁 以 四氢呋喃 为溶剂， 反应 2.5h， 生成 1-(5-甲氧基-2-硝基苯基)丙-2-烯-1-醇
  参考文献：
  名称：

  JP6836044

  摘要：

  公开号：

文献信息

• LONG-TERM MEMORY INDUCING AGENT
  申请人：NATIONAL UNIVERSITY CORPORATION TOKYO MEDICAL AND DENTAL UNIVERSITY

  公开号：US20180327348A1

  公开（公告）日：2018-11-15

  [Problem] To provide a method for inducing a long-term memory in a subject need thereof. [Solution to problem] A method for inducing a long-term memory, comprising a step of administering a compound represented by Formula I below, a pharmaceutically acceptable salt thereof or a solvate thereof to the subject.

  [问题] 提供一种诱导受试者长期记忆的方法。 [解决问题的方法] 一种诱导长期记忆的方法，包括向受试者施用下面公式I所代表的化合物，其药学上可接受的盐或其溶剂化物。
• Synthesis of 2‐(3‐Arylallylidene)‐3‐oxindoles via Dirhodium(II)‐Catalyzed Reaction of 3‐Diazoindolin‐2‐imines with 1‐Aryl‐Substituted Allylic Alcohols and Computational Insights
  作者：Ke Gao、Luyao Kou、Rui Fu、Xiaoguang Bao

  DOI：10.1002/adsc.201901160

  日期：2020.3.17

  A straightforward approach for the synthesis of 2‐(3‐arylallylidene)‐3‐oxindoles has been achieved by the dirhodium(II)‐catalyzed reaction of 3‐diazoindolin‐2‐imines with 1‐aryl‐substituted allylic alcohols. This protocol employs easily accessible feedstocks to produce oxindole derivatives, which might be applicable in the dye industry. DFT calculations were carried out to gain a mechanistic insight

  3-（二氮杂吲哚-2-亚胺）与1-芳基取代的烯丙醇的二价（（II）催化反应已经实现了一种合成2-（3-芳基亚芳基）-3-氧吲哚的简单方法。该协议采用易于获取的原料生产羟吲哚衍生物，该衍生物可能适用于染料工业。进行DFT计算以获得对反应的机械了解。
• Thiadiazoline- and Pyrazoline-Based Carboxamides and Carbothioamides: Synthesis and Inhibition against Nitric Oxide Synthase
  作者：Fabio Arias、M. Encarnación Camacho、M. Dora Carrión、Meriem Chayah、Miguel Romero、Juan Duarte、Miguel A. Gallo

  DOI：10.1155/2018/9242616

  日期：——

  novel derivatives were synthesized combining the arylthiadiazoline or arylpyrazoline skeleton and a carboxamide or carbothioamide moiety, used as starting material ethyl 2-nitrobenzoates or substituted nitrobenzaldehydes, respectively. The structure-activity relationships of final molecules are discussed in terms of the R1 radical effects in the aromatic ring, the Y atom in the heterocyclic system, the

  已经开发了两个新的吡唑啉和噻二唑啉杂环家族。报道了它们对一氧化氮合酶的两种不同异构体（诱导型和神经元 NOS）的抑制活性。新的衍生物合成结合芳基噻二唑啉或芳基吡唑啉骨架和甲酰胺或硫代甲酰胺部分，分别用作起始原料 2-硝基苯甲酸乙酯或取代的硝基苯甲醛。最终分子的构效关系根据芳环中的 R1 自由基效应、杂环系统中的 Y 原子、主链中的 X 杂原子以及甲酰胺或硫代硫酰胺中的 R2 取代基进行讨论。一般来说，噻二唑啉 (5a-e) 优先抑制神经元同种型；其中，5a 是最好的 nNOS 抑制剂（1 mM 时为 74.11%，IC50 = 420 μM）。相比之下，吡唑啉 (6a-r) 作为 iNOS 的表现优于 nNOS 抑制剂，6m 是该系列中最好的分子（1 mM iNOS 抑制时为 76.86%，IC50 = 130 μM）并且是所有测试化合物中最有效的。
• Long-term memory inducing agent
  申请人：NATIONAL UNIVERSITY CORPORATION TOKYO MEDICAL AND DENTAL UNIVERSITY

  公开号：US10266482B2

  公开（公告）日：2019-04-23

  [Problem] To provide a method for inducing a long-term memory in a subject in need thereof. [Solution to problem] A method for inducing a long-term memory, comprising a step of administering a compound represented by Formula I below, a pharmaceutically acceptable salt thereof or a solvate thereof to the subject.

  [问题]提供一种诱导有需要的受试者长期记忆的方法。 [解决问题] 一种诱导长时记忆的方法，包括向受试者施用下式 I 所代表的化合物、其药学上可接受的盐或其溶液的步骤。
• Synthesis and biological evaluation of 4,5-dihydro-1H-pyrazole derivatives as potential nNOS/iNOS selective inhibitors. Part 2: Influence of diverse substituents in both the phenyl moiety and the acyl group
  作者：M. Dora Carrión、Mariem Chayah、Antonio Entrena、Ana López、Miguel A. Gallo、Darío Acuña-Castroviejo、M. Encarnación Camacho

  DOI：10.1016/j.bmc.2013.05.016

  日期：2013.7

  In a preliminary article, we reported a series of 4,5-dihydro-1H-pyrazole derivatives as neuronal nitric oxide synthase (nNOS) inhibitors. Here we present the data about the inhibition of inducible nitric oxide synthase (iNOS) of these compounds. In general, we can confirm that these pyrazoles are nNOS selective inhibitors. In addition, taking these compounds as a reference, we have designed and synthesized a series of new derivatives by modification of the heterocycle in 1-position, and by introduction of electrondonating or electron-withdrawing substituents in the aromatic ring. These derivatives have been evaluated as nNOS and iNOS inhibitors in order to identify new compounds with improved activity and selectivity. Compound 3r, with three methoxy electron-donating groups in the phenyl moiety, is the most potent nNOS inhibitor, showing good selectivity nNOS/iNOS. (C) 2013 Elsevier Ltd. All rights reserved.