1,7-dimethyl-1,7-dioxa-2,3,5,6-tetraaza-2,5-heptadiene 3,5-dioxide | 23950-84-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,7-dimethyl-1,7-dioxa-2,3,5,6-tetraaza-2,5-heptadiene 3,5-dioxide
• 英文别名: 2,8-dioxa-3,4,6,7-tetraaza-3,6-nonadiene 4,6-dioxide；bis(N-methoxydiazene-N-oxido)methane；bis(methoxy-NNO-azoxy)methane；di(methoxy-NNO-azoxy)methane；(3Z,6Z)-2,8-dioxa-3,4,6,7-tetraazanona-3,6-diene 4,6-dioxide；(Z)-methoxyimino-[[(Z)-methoxyimino(oxido)azaniumyl]methyl]-oxidoazanium
• CAS: 23950-84-7
• 化学式: C₃H₈N₄O₄
• 分子量: 164.121
• InChiKey: GENZJLJESLZKOJ-PEPZGXQESA-N

物化性质

• 熔点：
  136 °C
• 沸点：
  243.8±50.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,7-dimethyl-1,7-dioxa-2,3,5,6-tetraaza-2,5-heptadiene 3,5-dioxide 、 邻氯氯苄 在 苄基三乙基氯化铵 、 sodium hydroxide 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 2.0h， 以29%的产率得到(E)-2-(2-chlorophenyl)-1-(methoxy-NNO-azoxy)ethene
  参考文献：
  名称：

  Synthesis of E-1-(alkoxy-NNO-azoxy)-2-arylethenes by the reaction of bis(alkoxy-NNO-azoxy)methanes with benzyl halides under conditions of phase-transfer catalysis

  摘要：

  Reaction of bis(methoxy- and ethoxy-NNO-azoxy)methane with benzyl halides and alkali under the conditions of a phase-transfer catalysis furnishes in one stage E-1-(alkoxy-NNO-azoxy)-2-arylethene in 21-55% yields. The intermediate products, 1,1-bis(alkoxy-NNO-azoxy)-2-arylethanes under the action of alkali eliminate one of the two alkoxy-NNO-azoxy groups with the formation of a double bond. The optimum solvent is DMSO, and as benzyl halides, benzyl chlorides. In the case of 4-bromobenzyl bromide a formation was found of a side bisbenzylation product, 1,3-bis(4-bromophenyl)-2,2-bis(methoxy-NNO-azoxy)propane.

  DOI：

  10.1134/s1070428013050072

文献信息

• LUKYANOV, O. A.;SHLYKOVA, N. I.;TARTAKOVSKIJ, V. A., IZV. AN CCCP. CEP. XIM., 1982, N 7, 1656-1657
  作者：LUKYANOV, O. A.、SHLYKOVA, N. I.、TARTAKOVSKIJ, V. A.

  DOI：——

  日期：——
• MARCHENKO, G. A.;MUXAMETZYANOV, A. S.;TSELINSKIJ, I. V., ZH. ORGAN. XIMII, 1985, 21, N 7, 1426-1429
  作者：MARCHENKO, G. A.、MUXAMETZYANOV, A. S.、TSELINSKIJ, I. V.

  DOI：——

  日期：——
• A new one-step method for the synthesis of 1-(alkoxy-NNO-azoxy)-2-phenylethenes from di(alkoxy-NNO-azoxy)methanes
  作者：I. N. Zyuzin

  DOI：10.1007/bf02503507

  日期：1998.6
• Structure of 5-methyl- and 5,5-dimethyl-2,8-dioxa-3,4,6,7-tetraaza-3,6-nonadiene 4,6-dioxide
  作者：L. O. Atovmyan、N. I. Golovina、I. N. Zyuzin

  DOI：10.1007/bf00956663

  日期：1987.6
• Synthesis of E-1-(alkoxy-NNO-azoxy)-2-arylethenes by the reaction of bis(alkoxy-NNO-azoxy)methanes with benzyl halides under conditions of phase-transfer catalysis
  作者：I. N. Zyuzin

  DOI：10.1134/s1070428013050072

  日期：2013.5

  Reaction of bis(methoxy- and ethoxy-NNO-azoxy)methane with benzyl halides and alkali under the conditions of a phase-transfer catalysis furnishes in one stage E-1-(alkoxy-NNO-azoxy)-2-arylethene in 21-55% yields. The intermediate products, 1,1-bis(alkoxy-NNO-azoxy)-2-arylethanes under the action of alkali eliminate one of the two alkoxy-NNO-azoxy groups with the formation of a double bond. The optimum solvent is DMSO, and as benzyl halides, benzyl chlorides. In the case of 4-bromobenzyl bromide a formation was found of a side bisbenzylation product, 1,3-bis(4-bromophenyl)-2,2-bis(methoxy-NNO-azoxy)propane.