2,6,6,9,9,13-hexamethyl-7,8-diazatetradeca-2,7,12-triene-4,11-dione 7,8-dioxide | 66737-12-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,6,6,9,9,13-hexamethyl-7,8-diazatetradeca-2,7,12-triene-4,11-dione 7,8-dioxide
• 英文别名: (E)-(2,6-dimethyl-4-oxohept-5-en-2-yl)-[(2,6-dimethyl-4-oxohept-5-en-2-yl)-oxidoazaniumylidene]-oxidoazanium
• CAS: 66737-12-0
• 化学式: C₁₈H₃₀N₂O₄
• 分子量: 338.447
• InChiKey: KJGPKVNETMDUHD-FMQUCBEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6,6,9,9,13-hexamethyl-7,8-diazatetradeca-2,7,12-triene-4,11-dione 7,8-dioxide 以 氘代氯仿 为溶剂， 生成 2,6-dimethyl-2-nitrosohept-5-en-4-one
  参考文献：
  名称：

  Mechanism of autoreduction of 2,2,6,6-tetramethyl-1,4-dioxopiperidinium cation in alkaline medium

  摘要：

  Autoreduction of 2,2,6,6-tetramethyl-1,4-dioxopiperidinium ion to nitroxyl radical in alkaline medium involves a number of parallel and consecutive reactions. The primary products of the reaction of 2,2,6,6-tetramethyl-1,4-dioxopiperidinium with hydroxide ion are three nitroso compounds and N-hydroxy-2,2,6,6-tetramethylpiperidine N-oxide. Isomerization of the nitroso compounds and elimination of acetone from the N-oxide give cyclic hydroxylamines which reduce the initial cation to nitroxyl radical, being oxidized to nitrones.

  DOI：

  10.1134/s1070428011060066
• 作为产物：
  描述：

  四甲基哌啶酮 在 sodium tungstate 、 双氧水 、 disodium ethylenediaminetetraacetic acid 作用下， 以 水 为溶剂， 生成 2,6,6,9,9,13-hexamethyl-7,8-diazatetradeca-2,7,12-triene-4,11-dione 7,8-dioxide
  参考文献：
  名称：

  Zakrzewski, Jerzy, Journal fur praktische Chemie (Leipzig 1954), 1985, vol. 327, # 6, p. 1011 - 1014

  摘要：

  DOI：

文献信息

• Zakrzewski, Jerzy, Journal fur praktische Chemie (Leipzig 1954), 1985, vol. 327, # 6, p. 1011 - 1014
  作者：Zakrzewski, Jerzy

  DOI：——

  日期：——
• Mechanism of autoreduction of 2,2,6,6-tetramethyl-1,4-dioxopiperidinium cation in alkaline medium
  作者：V. A. Golubev、V. D. Sen’

  DOI：10.1134/s1070428011060066

  日期：2011.6

  Autoreduction of 2,2,6,6-tetramethyl-1,4-dioxopiperidinium ion to nitroxyl radical in alkaline medium involves a number of parallel and consecutive reactions. The primary products of the reaction of 2,2,6,6-tetramethyl-1,4-dioxopiperidinium with hydroxide ion are three nitroso compounds and N-hydroxy-2,2,6,6-tetramethylpiperidine N-oxide. Isomerization of the nitroso compounds and elimination of acetone from the N-oxide give cyclic hydroxylamines which reduce the initial cation to nitroxyl radical, being oxidized to nitrones.