1-(2-Methoxyphenyl)-2-methyl-3-nitrobenzene | 266678-14-2

• 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: 1-(2-Methoxyphenyl)-2-methyl-3-nitrobenzene
• CAS: 266678-14-2
• 化学式: C₁₄H₁₃NO₃
• 分子量: 243.262
• InChiKey: SIOZXTWOWKPNQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-Methoxyphenyl)-2-methyl-3-nitrobenzene 在 四氢吡咯 、 铁粉 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-(2-methoxyphenyl)-2,3-dihydro-1H-indole
  参考文献：
  名称：

  Heteroatom- and carbon-linked biphenyl analogs of Brequinar as immunosuppressive agents

  摘要：

  Structure-activity relationships were explored for some analogs of Brequinar having a linking atom between the 2-biphenyl substituent and the quinoline ring. Activities as inhibitors of dihydroorotate dehydrogenase and the mixed lymphocyte reaction were related to the overall shape and lipophilicity of the 2-substituent. (C) 1998 The DuPont Merck Pharmaceutical Company. Published by Elsevier Science Ltd.All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00308-4
• 作为产物：
  描述：

  2-溴-6-硝基甲苯 、 2-甲氧基苯基硼酸 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 以98%的产率得到1-(2-Methoxyphenyl)-2-methyl-3-nitrobenzene
  参考文献：
  名称：

  抗肿瘤药重氮酰胺的4-芳基吲哚部分的合成及相关研究

  摘要：

  由市售3合成包含重氮酰胺CDG环的6，总产率为75％。

  DOI：

  10.1016/s0040-4039(99)02204-2

文献信息

• Synthesis and herbicidal activity of phenyl-substituted benzoylpyrazoles
  作者：Thomas L Siddall、David G Ouse、Zoltan L Benko、Gail M Garvin、Johnny L Jackson、Jeffrey M McQuiston、Michael J Ricks、Thomas D Thibault、James A Turner、John C VanHeertum、Monte R Weimer

  DOI：10.1002/ps.588

  日期：2002.12

  A novel series of substituted 3-phenyl benzoylpyrazoles were prepared and tested as potential grass herbicides. The targeted materials were prepared by three newly developed synthetic routes, which allowed a comprehensive study of the SAR (structure-activity relationships) of this series. The best combination of grass weed activity (Avena fatua L, Setaria viridis (L) Beauv and Alopecurus myosuroides

  制备了一系列新颖的取代的3-苯基苯甲酰基吡唑并作为潜在的除草剂进行了测试。通过三种新开发的合成途径制备了目标材料，从而可以全面研究该系列的SAR（结构-活性关系）。在苯环的4位上具有烷氧基的情况下，草杂草活性（Avena fatua L，Setaria viridis（L）Beauv和Alopecurus myosuroides Huds）与小麦选择性的最佳组合。通过在吡唑上存在叔丁基和在苯甲酰基部分的C-2位上存在甲基，进一步增强了活性。烷氧基取代的3-苯基苯甲酰基吡唑类是一类新型的除草剂，具有潜在的控制谷物中重要杂草的效用。
• Heteroatom- and carbon-linked biphenyl analogs of Brequinar as immunosuppressive agents
  作者：Douglas G. Batt、Joseph J. Petraitis、Susan R. Sherk、Robert A. Copeland、Randine L. Dowling、Tracy L. Taylor、Elizabeth A. Jones、Ronald L. Magolda、Bruce D. Jaffee

  DOI：10.1016/s0960-894x(98)00308-4

  日期：1998.7

  Structure-activity relationships were explored for some analogs of Brequinar having a linking atom between the 2-biphenyl substituent and the quinoline ring. Activities as inhibitors of dihydroorotate dehydrogenase and the mixed lymphocyte reaction were related to the overall shape and lipophilicity of the 2-substituent. (C) 1998 The DuPont Merck Pharmaceutical Company. Published by Elsevier Science Ltd.All rights reserved.
• Synthesis of the 4-arylindole portion of the antitumor agent diazonamide and related studies
  作者：Fiona Chan、Philip Magnus、Edward G. McIver

  DOI：10.1016/s0040-4039(99)02204-2

  日期：2000.2

  The synthesis of 6 comprising the CDG rings of the diazonamides was achieved in an overall yield of 75% from commercially available 3.

  由市售3合成包含重氮酰胺CDG环的6，总产率为75％。