(3-benzyloxy-phenyl)thiourea | 117174-83-1

• 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: (3-benzyloxy-phenyl)thiourea
• 英文别名: 1-(3-benzyloxy)phenylthiourea；(3-Benzyloxyphenyl)thiourea；(3-phenylmethoxyphenyl)thiourea
• CAS: 117174-83-1
• 化学式: C₁₄H₁₄N₂OS
• 分子量: 258.344
• InChiKey: ZJVBHZKCEMFREY-UHFFFAOYSA-N

物化性质

• 沸点：
  419.4±47.0 °C(Predicted)
• 密度：
  1.277±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  79.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3-benzyloxy-phenyl)thiourea 以 甲醇 、 叔丁醇 为溶剂， 反应 21.0h， 生成 N-(3-Benzyloxy-phenyl)-pyrrolidine-1-carboxamidine; hydriodide
  参考文献：
  名称：

  A Versatile Synthesis of NovelN,N,N″-Trisubstituted Guanidines

  摘要：

  N,N,N″-三取代胍（大部分是N″-芳基-N-氮杂环烷羧基亚胺）通常以良好的产率通过以下步骤制备：将单取代硫脲与甲基碘在甲醇或丙酮中进行S-甲基化反应，然后将所得的甲基氨基甲亚胺硫醇氢碘酸盐与二级胺在沸腾的叔丁醇或丙酮腈中反应。

  DOI：

  10.1055/s-1988-27606
• 作为产物：
  描述：

  3-苯甲氧基异硫氰酸苯酯 在 氨 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.5h， 以100%的产率得到(3-benzyloxy-phenyl)thiourea
  参考文献：
  名称：

  [EN] SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION
  [FR] DERIVES ARYLTHIO-UREE SUBSTITUES UTILISES EN TANT QU'INHIBITEURS DE LA REPLICATION VIRALE

  摘要：

  公开号：

  WO2005007601A3

文献信息

• [EN] SPINOSYN DERIVATIVES AS INSECTICIDES<br/>[FR] DÉRIVÉS DE SPINOSYNES UTILISABLES EN TANT QU'INSECTICIDES
  申请人：AGRIMETIS LLC

  公开号：WO2017040882A1

  公开（公告）日：2017-03-09

  Compositions including derivatives of spinosyns and methods for the production of derivatives of spinosyns are provided. The spinosyn derivatives described herein include spinosyn derivatives functionalized on the C5-C6 double bond of spinosyn A to provide an additional ring system. The method produces spinosyn derivatives that exhibit activity towards insects, arachnids, and/or nematodes and are useful in the agricultural and animal health markets.

  提供了包括自旋菌素衍生物在内的组合物，以及生产自旋菌素衍生物的方法。这里描述的自旋菌素衍生物包括在自旋菌素A的C5-C6双键上官能化的自旋菌素衍生物，以提供额外的环系统。该方法生产出对昆虫、蛛形动物和/或线虫具有活性的自旋菌素衍生物，并在农业和动物健康市场中有用。
• Improved Procedures for the Preparation of Cycloalkyl-, Arylalkyl-, and Arylthioureas
  作者：C. R. Rasmussen、F. J. Villani, Jr.、L. E. Weaner、B. E. Reynolds、A. R. Hood、L. R. Hecker、S. O. Nortey、A. Hanslin、M. J. Costanzo、E. T. Powell、A. J. Molinari

  DOI：10.1055/s-1988-27605

  日期：——

  An improved procedure for the preparation of arylthioureas consists of the reaction of benzoyl isothiocyanate with anilines in acetone and debenzoylation of the resultant N-aryl-N′-benzoylthioureas with 5% aqueous sodium hydroxide. Bicycloalkylthioureas and N-(arylalkyl)thioureas (e.g., 9H-9-fluorenylthiourea) are directly prepared from the corresponding isothiocyanates and ammonia.

  制备芳基硫脲的改进方法包括将苯甲酰异硫氰酸酯与苯胺在丙酮中反应，然后用5%氢氧化钠水溶液对生成的N-芳基-N'-苯甲酰硫脲进行去苯甲酰化。双环烷基硫脲和N-(芳烷基)硫脲（例如9H-9-芴基硫脲）可直接由相应的异硫氰酸酯与氨反应制备。
• Substituted arylthiourea derivatives useful as inhibitors of viral replication
  申请人：Phadke Avinash

  公开号：US20050032849A1

  公开（公告）日：2005-02-10

  Substituted arylthiourea compounds of Formula I, and the pharmaceutically acceptable salts of such compounds, useful as antiviral agents, are provided herein. Certain substituted arylthioureas disclosed herein are potent and/or selective inhibitors of viral replication, particularly Hepatitis C virus replication. Pharmaceutical compositions containing one or more substituted arylthiourea compounds and one or more pharmaceutically acceptable carriers, excipients, or diluents are provided herein. Such pharmaceutical compositions may contain a substituted arylthiourea as the only active agent or may contain a combination of a substituted arylthiourea derivative and one or more other pharmaceutically active agents. Methods of treating Hepatitis C viral infections in mammals are also provided herein.

  本文提供了化合物I的取代芳基硫脲化合物及其药学上可接受的盐，可用作抗病毒剂。本文披露的某些取代芳基硫脲具有强效和/或选择性抑制病毒复制的能力，特别是丙型肝炎病毒复制。本文还提供了含有一种或多种取代芳基硫脲化合物和一种或多种药学上可接受的载体、赋形剂或稀释剂的制药组合物。这种制药组合物可以仅包含一种取代芳基硫脲作为唯一活性剂，也可以包含一种取代芳基硫脲衍生物和一种或多种其他药学活性剂的组合。本文还提供了治疗哺乳动物丙型肝炎病毒感染的方法。
• Spinosyn derivatives as insecticides
  申请人：AGRIMETIS, LLC

  公开号：US10711026B2

  公开（公告）日：2020-07-14

  Compositions including derivatives of spinosyns and methods for the production of derivatives of spinosyns are provided. The spinosyn derivatives described herein include spinosyn derivatives functionalized on the C5-C6 double bond of spinosyn A to provide an additional ring system. The method produces spinosyn derivatives that exhibit activity towards insects, arachnids, and/or nematodes and are useful in the agricultural and animal health markets.

  本研究提供了包括旋光花苷衍生物的组合物以及生产旋光花苷衍生物的方法。本文所述的旋光花苷衍生物包括在旋光花苷 A 的 C5-C6 双键上官能化以提供额外环系的旋光花苷衍生物。该方法生产出的尖孢菌苷衍生物对昆虫、蛛形纲动物和/或线虫具有活性，可用于农业和动物保健市场。
• Design, synthesis, and anti-HCV activity of thiourea compounds
  作者：Iou-Jiun Kang、Li-Wen Wang、Chung-Chi Lee、Yen-Chun Lee、Yu-Sheng Chao、Tsu-An Hsu、Jyh-Haur Chern

  DOI：10.1016/j.bmcl.2009.02.048

  日期：2009.4

  A series of thiourea derivatives were synthesized and their antiviral activity was evaluated in a cell-based HCV subgenomic replicon assay. SAR studies revealed that the chain length and the position of the alkyl linker largely influenced the in vitro anti-HCV activity of this class of potent antiviral agents. Among this series of compounds synthesized, the thiourea derivative with a six-carbon alkyl linker at the meta-position of the central phenyl ring (10) was identified as the most potent anti-HCV inhibitor (EC50 = 0.047 mu M) with a selectivity index of 596. (C) 2009 Elsevier Ltd. All rights reserved.