2-[2-羟基乙基(甲基)氨基]-5-甲基环己-2,5-二烯-1,4-二酮 | 2158-78-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-[2-羟基乙基(甲基)氨基]-5-甲基环己-2,5-二烯-1,4-二酮
• 英文名称: 5-methyl-2-(N-methyl-β-hydroxyethyl)aminobenzo-1,4-quinone
• 英文别名: 2-(Methyl-hydroxyaethyl)-amino-5-methylbenzochinon-1,4；2--5-methyl-p-chinon；2-Methyl-5-(methyl-hydroxyethyl-amino)-p-benzochinon；2-Methyl-N-<β-oxaethyl>-amino-5-methyl-benzochinon；2-N-Methyl-<β-hydroxyaethyl>-5-methyl-amino-1,4-benzochinon；2-[(2-Hydroxy-aethyl)-methyl-amino]-5-methyl-[1,4]benzochinon；2-[(2-hydroxy-ethyl)-methyl-amino]-5-methyl-[1,4]benzoquinone；2,5-Cyclohexadiene-1,4-diene, 2-((2-hydroxyethyl)methylamino)-5-methyl-；2-[2-hydroxyethyl(methyl)amino]-5-methylcyclohexa-2,5-diene-1,4-dione
• CAS: 2158-78-3
• 化学式: C₁₀H₁₃NO₃
• 分子量: 195.218
• InChiKey: HIAOBGAEIBNOBY-UHFFFAOYSA-N

物化性质

• 沸点：
  331.6±41.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[2-羟基乙基(甲基)氨基]-5-甲基环己-2,5-二烯-1,4-二酮 以 氘代二甲亚砜 为溶剂， 生成 2-(2-hydroxyethyl)methyl-amino-5-methyl-1,4-benzoquinol
  参考文献：
  名称：

  NMR-spektroskopische und massenspektrometrische Untersuchung der Struktur und L�sungsgleichgewichte von Hydroxyethylaminotoluchinonen

  摘要：

  The constitution of hydroxyethylaminotoluquinones have been assigned by means of modern NMR-techniques. The solution equilibria constants have been determined by recording H-1-NMR spectra at different temperatures. The reaction of compounds 2a1 and 2c1 with acetic anhydride leads to the corresponding acetyl derivatives with quinone skeleton. The mass spectra of 2a1-c1 are discussed on basis of the fragmentation pattern.

  DOI：

  10.1007/bf00814151
• 作为产物：
  描述：

  2-(2-hydroxyethyl)methyl-amino-5-methyl-1,4-benzoquinol 以 氘代二甲亚砜 为溶剂， 生成 2-[2-羟基乙基(甲基)氨基]-5-甲基环己-2,5-二烯-1,4-二酮
  参考文献：
  名称：

  NMR-spektroskopische und massenspektrometrische Untersuchung der Struktur und L�sungsgleichgewichte von Hydroxyethylaminotoluchinonen

  摘要：

  The constitution of hydroxyethylaminotoluquinones have been assigned by means of modern NMR-techniques. The solution equilibria constants have been determined by recording H-1-NMR spectra at different temperatures. The reaction of compounds 2a1 and 2c1 with acetic anhydride leads to the corresponding acetyl derivatives with quinone skeleton. The mass spectra of 2a1-c1 are discussed on basis of the fragmentation pattern.

  DOI：

  10.1007/bf00814151

文献信息

• Koenig; Letsch, Chemische Berichte, 1959, vol. 92, p. 1789,1797
  作者：Koenig、Letsch

  DOI：——

  日期：——
• Reactions of hydroxyethylamino-1,4-benzoquinones with 2,4,6-trimethylbenzonitrile oxide, II
  作者：Manfred Schubert-Zsilavecz、Dagmar Gusterhuber、Werner Likussar

  DOI：10.1007/bf00810029

  日期：1993.11

  3,4,9a,9b-Tetrahydro-2H-1,2-oxazolo[5,4-h]1,4-benzoxazin-6(6aH)-ons 5a-c were obtained by the reaction of hydroxyethylamino-1,4-benzoquinones 2a-c with nitrile oxide 3. The structures of the cycloadducts were elucidated NMR techniques including inverse longe-range C-13,H-1-experiments and homonuclear NOE difference spectroscopy.
• SCHUBERT-ZSILAVECZ, MANFRED, MONATSH. CHEM., 122,(1991) N-2, C. 51-57
  作者：SCHUBERT-ZSILAVECZ, MANFRED

  DOI：——

  日期：——
• NMR-spektroskopische und massenspektrometrische Untersuchung der Struktur und L�sungsgleichgewichte von Hydroxyethylaminotoluchinonen
  作者：M. Schubert-Zsilavecz、J. Reiner

  DOI：10.1007/bf00814151

  日期：1993.10

  The constitution of hydroxyethylaminotoluquinones have been assigned by means of modern NMR-techniques. The solution equilibria constants have been determined by recording H-1-NMR spectra at different temperatures. The reaction of compounds 2a1 and 2c1 with acetic anhydride leads to the corresponding acetyl derivatives with quinone skeleton. The mass spectra of 2a1-c1 are discussed on basis of the fragmentation pattern.
• Berg, Hermann; Zuman, Petr, journal of the chemical society-perkin transactions 2, 2000, # 7, p. 1459 - 1464
  作者：Berg, Hermann、Zuman, Petr

  DOI：——

  日期：——