2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazole 3-oxide | 70183-22-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazole 3-oxide
• 英文别名: 2,2,5,5-tetramethyl-3-oxido-1H-imidazol-3-ium
• CAS: 70183-22-1
• 化学式: C₇H₁₄N₂O
• 分子量: 142.201
• InChiKey: ATMSOHQKXPFPAT-UHFFFAOYSA-N

物化性质

• 熔点：
  53-56 °C
• 沸点：
  281.9±33.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  40.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazole 3-oxide 在 双氧水 作用下， 生成
  参考文献：
  名称：

  Derivatives of Dihydropyrazine-1,4-Dioxide, 3-Imidazoline 3-Oxide, and α-Phenyl Nitrones with Functional Groups as New Spin Traps in Solution and in the Gas Phase

  摘要：

  The title compounds, acyclic phenyl nitrones with functional groups, cyclic dinitrones with conjugated or isolated double bonds, and imidazoline nitrones are studied as spin traps (ST) for short-lived free radicals (R) generated photochemically in solution and in the gas phase. New STs are efficient in trapping OH, hydroxyalkyl, or HO2 radicals. EPR spectra of the spin adducts (SA) of studied dinitrones are triplets of doublets characteristic of the nitroxides with one radical center. Imidazoline ST with amino nitrogen exhibits pH-dependent hyperfine splittings of its SAs. Some spin traps were shown to be efficient in detecting R in the atmospheric experiments.

  DOI：

  10.1021/jp960438e
• 作为产物：
  描述：

  α-amino-isobutyraldehyde-oxime 、 丙酮 、 盐酸 以100%的产率得到
  参考文献：
  名称：

  MARTIN V. V.; VOLODARSKIJ L. B., XIMIYA GETEROTSIKL. SOEDIN., 1979, HO 1, 103-109

  摘要：

  DOI：

文献信息

• α-Organoelement Nitrones:  Synthesis, Properties, and IR and¹³C NMR Spectral and X-ray Structural Characterization
  作者：Maxim A. Voinov、Tikhon G. Shevelev、Tatyana V. Rybalova、Yury V. Gatilov、Natalie V. Pervukhina、Aleksei B. Burdukov、Igor A. Grigor'ev

  DOI：10.1021/om060883o

  日期：2007.3.1

  the α-lithiated cyclic aldonitrones of 3-imidazoline 3-oxide, pyrroline 1-oxide, 2H-imidazole 1-oxide, and 3,4-dihydroisoquinoline 2-oxide series with electrophilic reagents such as HgCl2, (CH3)3SiCl, (C2H5)3GeCl, (n-C4H9)3SnBr, Ph2P(O)Cl, Ph2PCl, PhSSPh, PhSeSePh, TsCl, and TsF. Aldonitrones of the 3-imidazoline 3-oxide and pyrroline 1-oxide series were shown to readily afford the products of the li

  通过3-咪唑啉3-氧化物，吡咯啉1-氧化物，2 H-咪唑1-氧化物和3,4-二氢异喹啉的α-锂化的环状醛酮的反应，首次合成了α-有机元素取代的硝基酮。与诸如HgCl 2，（CH 3）3 SiCl，（C 2 H 5）3 GeCl，（n -C 4 H 9）3 SnBr，Ph 2 P（O）Cl，Ph 2等亲电试剂的2氧化物系列PCl，PhSSPh，PhSeSePh，TsCl和TsF。显示3-氧化3-咪唑啉和1-氧化吡咯啉的醛酮很容易提供锂化-亲电取代反应的产物。相反，2 H-咪唑一氧化物和3，4-二氢异喹啉2-氧化物系列的醛亚硝基仅与无卤素的亲电试剂平滑反应。发现即使在分子中存在动力学上更酸性的亚甲基和氨基时，醛亚硝基也可被锂化并选择性地与亲电试剂反应。讨论了合成化合物的IR和13 C NMR光谱的特征。通过X射线衍射研究对选定的α-有机元素硝酮进行表征。
• GRIGOREV, I. A.;STARICHENKO, V. F.;KIRILYUK, I. A.;VOLODARSKIJ, L. B., IZV. AN CCCP. CEP. XIM.,(1989) N, S. 933-957
  作者：GRIGOREV, I. A.、STARICHENKO, V. F.、KIRILYUK, I. A.、VOLODARSKIJ, L. B.

  DOI：——

  日期：——
• Derivatives of Dihydropyrazine-1,4-Dioxide, 3-Imidazoline 3-Oxide, and α-Phenyl Nitrones with Functional Groups as New Spin Traps in Solution and in the Gas Phase
  作者：Galina G. Dultseva、Galina I. Skubnevskaya、Aleksei Ya. Tikhonov、Dmitrii G. Mazhukin、Leonid B. Volodarsky

  DOI：10.1021/jp960438e

  日期：1996.1.1

  The title compounds, acyclic phenyl nitrones with functional groups, cyclic dinitrones with conjugated or isolated double bonds, and imidazoline nitrones are studied as spin traps (ST) for short-lived free radicals (R) generated photochemically in solution and in the gas phase. New STs are efficient in trapping OH, hydroxyalkyl, or HO2 radicals. EPR spectra of the spin adducts (SA) of studied dinitrones are triplets of doublets characteristic of the nitroxides with one radical center. Imidazoline ST with amino nitrogen exhibits pH-dependent hyperfine splittings of its SAs. Some spin traps were shown to be efficient in detecting R in the atmospheric experiments.
• MARTIN V. V.; VOLODARSKIJ L. B., XIMIYA GETEROTSIKL. SOEDIN., 1979, HO 1, 103-109
  作者：MARTIN V. V.、 VOLODARSKIJ L. B.

  DOI：——

  日期：——