1,5-dimethoxy-4,8-dinitronaphthalene | 303777-47-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,5-dimethoxy-4,8-dinitronaphthalene
• 英文别名: 1,5-dimethoxy-4,8-dinitro-naphthalene；1,5-Dimethoxy-4,8-dinitro-naphthalin
• CAS: 303777-47-1
• 化学式: C₁₂H₁₀N₂O₆
• 分子量: 278.221
• InChiKey: MFYLMDOGKKSTKD-UHFFFAOYSA-N

物化性质

• 熔点：
  274.0 °C
• 沸点：
  493.5±40.0 °C(Predicted)
• 密度：
  1.425±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,5-dimethoxy-4,8-dinitronaphthalene 在 硝酸 、 溶剂黄146 作用下， 生成 1,5-dimethoxy-2,4,8-trinitro-naphthalene
  参考文献：
  名称：

  70.硝化1：5-二羟基萘和1：5-二乙酰氧基萘，1-乙酰氧基-5-甲氧基萘，5-甲氧基-1-萘和1：5-二甲氧基萘

  摘要：

  DOI：

  10.1039/jr9470000350
• 作为产物：
  描述：

  1,5-二羟基萘 在 硝酸 、 溶剂黄146 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 1,5-dimethoxy-4,8-dinitronaphthalene
  参考文献：
  名称：

  An efficient reduction of nitro and bromine naphthalene derivatives

  摘要：

  Reduction of 1,5-dimethoxy-4-nitronaphthalene by hydrazine hydrate was optimized in the course of current study. Influence of metals, temperature and solvents upon the process was tested. Yield of the reaction was the highest in the presence of Zn powder in DMF. Moderate heating made the process slightly more efficient than that at room temperature, whereas high temperature led to a decreased yield. The current approach made it possible to exclude high pressure and diminish experimental costs.

  DOI：

  10.1134/s1070363217040272

文献信息

• Gundermann; Drawert, Chemische Berichte, 1962, vol. 95, p. 2018,2025
  作者：Gundermann、Drawert

  DOI：——

  日期：——
• 70. The nitration of 1 : 5-dihydroxy- and 1 : 5-diacetoxy-naphthalene, 1-acetoxy-5-methoxynaphthalene, 5-methoxy-1-naphthol, and 1 : 5-di-methoxynaphthalene
  作者：R. H. Thomson、E. Race、F. M. Rowe

  DOI：10.1039/jr9470000350

  日期：——
• An efficient reduction of nitro and bromine naphthalene derivatives
  作者：J. Dong、Q. Zhang、G. Huang、Q. Meng、S. Li

  DOI：10.1134/s1070363217040272

  日期：2017.4

  Reduction of 1,5-dimethoxy-4-nitronaphthalene by hydrazine hydrate was optimized in the course of current study. Influence of metals, temperature and solvents upon the process was tested. Yield of the reaction was the highest in the presence of Zn powder in DMF. Moderate heating made the process slightly more efficient than that at room temperature, whereas high temperature led to a decreased yield. The current approach made it possible to exclude high pressure and diminish experimental costs.