2-溴-4-甲氧基-6-硝基甲苯 | 62827-41-2

• 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: 2-溴-4-甲氧基-6-硝基甲苯
• 英文名称: 4-Methoxy-2-brom-6-nitrotoluol
• 英文别名: 1-Bromo-5-methoxy-2-methyl-3-nitrobenzene
• CAS: 62827-41-2
• 化学式: C₈H₈BrNO₃
• 分子量: 246.06
• InChiKey: VMHCFQWEXWUPFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  2-溴-4-甲氧基-6-硝基甲苯 在 四氢吡咯 、 四(三苯基膦)钯 、 铁粉 、 sodium cyanoborohydride 、 sodium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成
  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

文献信息

• 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.