2,3-dimethyl-2,3-dinitroxy-butane | 51936-05-1

• 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-2,3-dinitroxy-butane
• 英文别名: 2,3-dimethyl-2,3-dinitroxybutane；2,3-dimethyl-2,3-bis-nitrooxy-butane；2,3-dimethyl-2,3-bis-nitryloxy-butane；2,3-Dimethyl-2,3-bis-nitryloxy-butan；2,3-Dimethyl-2,3-butandiol-dinitrat；O,O'-dinitro-pinacol；(2,3-dimethyl-3-nitrooxybutan-2-yl) nitrate
• CAS: 51936-05-1
• 化学式: C₆H₁₂N₂O₆
• 分子量: 208.171
• InChiKey: ANCPFSYKKXNLSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  239.9±13.0 °C(Predicted)
• 密度：
  1.254±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.96
• 重原子数：
  14.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  104.74
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,3-dimethyl-2,3-dinitroxy-butane 、 氢溴酸 生成 2,3-二溴-2,3-二甲基丁烷
  参考文献：
  名称：

  Demjanow, Chemisches Zentralblatt, 1899, vol. 70, # I, p. 1064

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-二甲基-2-丁烯 在 五氧化二氮 作用下， 生成 2,3-dimethyl-2,3-dinitroxy-butane
  参考文献：
  名称：

  Demjanow, Chemisches Zentralblatt, 1899, vol. 70, # I, p. 1064

  摘要：

  DOI：

文献信息

• Formation of nitrate esters in thallium(III) nitrate oxidation of alkenes
  作者：Robert J. Bertsch、Robert J. Ouellette

  DOI：10.1021/jo00932a017

  日期：1974.9
• Products and mechanisms of the gas-phase reactions between nitrate radical and a series of alkenes
  作者：J. Hjorth、C. Lohse、C. J. Nielsen、H. Skov、G. Restelli

  DOI：10.1021/j100382a035

  日期：1990.9
• Kinetics of oxirane formation in the reaction of nitrate radicals with tetramethylethylene
  作者：T. Berndt、O. Böge

  DOI：10.1002/bbpc.19940980617

  日期：1994.6

  AbstractThe kinetics of oxirane formation in the reaction of nitrate radicals with tetramethylethylene was investigated in a flow system at room temperature. Total pressure ranged from 5 to 1000 mbar. Using inert gas (He, N2) tetramethyloxirane only was detected as reaction product. In the case of synthetic air acetone also is formed in dependence of the system pressure. With increasing pressure the oxirane yield decreases and the acetone yield increases. Under tropospheric conditions 20% tetramethyloxirane was found.It is concluded that the oxirane observed results from the excited adduct formed in the electrophilic addition of the nitrate radical to the double bond. In the absence of O2 the quenched adduct radical formes oxirane in a thermal reaction also.Kinetic parameters were estimated.