3,3-dimethyl-4-(N,N-dimethylamino)-1,2-dioxetane | 56569-77-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧杂环丁烷
• 英文名称: 3,3-dimethyl-4-(N,N-dimethylamino)-1,2-dioxetane
• 英文别名: N,N,4,4-tetramethyldioxetan-3-amine
• CAS: 56569-77-8
• 化学式: C₆H₁₃NO₂
• 分子量: 131.175
• InChiKey: YCJAFIWBYCAADN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,3-dimethyl-4-(N,N-dimethylamino)-1,2-dioxetane 生成 N,N-二甲基甲酰胺 、 丙酮
  参考文献：
  名称：

  三重态化学发光：丙酮T1来自化学活化的3,3-二甲基-4-（N，N-二甲基氨基）-1,2-二氧杂环丁烷的分解

  摘要：

  The reaction of O2(a, 1-DELTA-g) with N,N-dimethylisobutenylamine has been studied in the gas phase at 298 K, a total pressure of 4 Torr, and an oxygen partial pressure of 0.007-4.0 Torr. The reaction forms a chemically activated dioxetane that decomposes with chemiluminescence (CL). CL spectra were obtained, and deconvolution showed them to consist of acetone T1 --> S0 and S1 --> S0 and no other molecular emissions. The T1 state was efficiently quenched by O2. The integrated intensity ratio, I(T1)/I(S1), was 1.3 at P(O2) = 0. The T1 --> S0 spectrum shows its onset at 366 nm and peak intensity at 440 nm.

  DOI：

  10.1021/j100157a006
• 作为产物：
  描述：

  N,n,2-三甲基丙烯基胺 在 mercury(II) oxide 氧气 作用下， 以 gaseous matrix 为溶剂， 24.9 ℃ 、533.29 Pa 条件下， 生成 3,3-dimethyl-4-(N,N-dimethylamino)-1,2-dioxetane
  参考文献：
  名称：

  三重态化学发光：丙酮T1来自化学活化的3,3-二甲基-4-（N，N-二甲基氨基）-1,2-二氧杂环丁烷的分解

  摘要：

  The reaction of O2(a, 1-DELTA-g) with N,N-dimethylisobutenylamine has been studied in the gas phase at 298 K, a total pressure of 4 Torr, and an oxygen partial pressure of 0.007-4.0 Torr. The reaction forms a chemically activated dioxetane that decomposes with chemiluminescence (CL). CL spectra were obtained, and deconvolution showed them to consist of acetone T1 --> S0 and S1 --> S0 and no other molecular emissions. The T1 state was efficiently quenched by O2. The integrated intensity ratio, I(T1)/I(S1), was 1.3 at P(O2) = 0. The T1 --> S0 spectrum shows its onset at 366 nm and peak intensity at 440 nm.

  DOI：

  10.1021/j100157a006