2,3-dimethyl-3-nitroso-2-butyl nitrate | 41847-89-6

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: 2,3-dimethyl-3-nitroso-2-butyl nitrate
• 英文别名: 2,3-dimethyl-2-nitrooxy-3-nitroso-butane；2,3-Dimethyl-2-nitroso-3-nitratobutane；(2,3-dimethyl-3-nitrosobutan-2-yl) nitrate
• CAS: 41847-89-6
• 化学式: C₆H₁₂N₂O₄
• 分子量: 176.172
• InChiKey: TZQBEPVCQHMYHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  84.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,3-二甲基-2-丁烯 在 二氧化氮 作用下， 以 氯仿 为溶剂， 以100%的产率得到2,3-dimethyl-3-nitroso-2-butyl nitrate
  参考文献：
  名称：

  Golding, Peter; Powell, Joy L.; Ridd, John H., Journal of the Chemical Society. Perkin transactions II, 1996, # 5, p. 813 - 820

  摘要：

  DOI：

文献信息

• Duynstee,E.F.J. et al., Recueil des Travaux Chimiques des Pays-Bas, 1973, vol. 92, p. 698 - 700
  作者：Duynstee,E.F.J. et al.

  DOI：——

  日期：——
• Visible-light-induced photochemistry of 2,3-dimethyl-2-butene.N2O4 charge-transfer complexes in solid inert matrixes at 75 K
  作者：Fritz Blatter、Heinz Frei

  DOI：10.1021/j100108a013

  日期：1993.2

  Continuous-wave laser-induced photochemistry of 2,3-dimethyl-2-butene (DMB).s-N2O4 complexes embedded in solid CO2 and solid Xe at 75 K was observed at wavelengths as long as 488 nm (s: symmetric form (O2N-NO2)). The chemistry was monitored by Fourier transform infrared and UV-visible spectroscopy. Products identified by N-15 and O-18 isotope substitution were 2,3-dimethyl-3-nitroso-2-butyl nitrate (major), 2,3-dimethyl-3-nitro-2-butyl nitrite, and a-N2O3 (both minor). A mechanism is proposed that is distinct from that previously suggested for thermal alkene + N2O4 chemistry in solution and liquid N2O4. UV-visible spectra of DMB.s-N2O4, 2-methyl-2-butene.s-N2O4, and trans-2-butene.s-N2O4 complexes in solid CO2 revealed intense new absorptions with maxima at 360, 338, and 296 nm, respectively. These are assigned to charge-transfer transitions. The DMB.s-N2O4 charge-transfer band extends to 550 nm and is responsible for the observed photochemistry.