m-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidine-2-yl)benzyl alcohol | 313472-99-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: m-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidine-2-yl)benzyl alcohol
• 英文别名: [3-(1,3-Dihydroxy-4,4,5,5-tetramethylimidazolidin-2-yl)phenyl]methanol
• CAS: 313472-99-0
• 化学式: C₁₄H₂₂N₂O₃
• 分子量: 266.34
• InChiKey: FNALEPTZJVJYPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  67.2
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  m-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidine-2-yl)benzyl alcohol 在 sodium periodate 作用下， 以 甲醇 、 氯仿 、 水 为溶剂， 反应 0.08h， 以62%的产率得到2-[m-(hydroxymethyl)phenyl]-4,4,5,5-tetramethyl-3-oxylimidazoline 1-oxide
  参考文献：
  名称：

  Magnetic Interactions in Hydrogen-Bonded Networks of Hydroxymethyl-Substituted Phenyl Nitronyl Nitroxides

  摘要：

  The ortho-, meta-, and pora-Hydroxymethyl-substituted 4,4,5,5-tetramethyl-3-oxyl-2-phenylimidazoline 1-oxides (1-3) were synthesized and characterized by X-ray crystallography. The magnetic susceptibility was determined by temperature-dependent SQUID measurements. The nitronyl nitroxides 1 and 3 display a paramagnetic susceptibility which follows the Curie-Weiss law. Weak ferromagnetic interactions can be recognized at very low temperature. The nitronyl nitroxide 2 shows temperature-dependent antiferromagnetic behavior, which can be fitted perfectly with the Heisenberg linear-chain theory with an intrachain exchange interaction of -18.43 cm(-1).

  DOI：

  10.1002/1099-0690(200010)2000:19<3347::aid-ejoc3347>3.0.co;2-t
• 作为产物：
  描述：

  N,N’-二羟基-2,3-二甲基-2,3-丁二胺 在 sodium tetrahydroborate 作用下， 以 甲醇 、 水 、 异丙醇 为溶剂， 反应 24.0h， 生成 m-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidine-2-yl)benzyl alcohol
  参考文献：
  名称：

  Magnetic Interactions in Hydrogen-Bonded Networks of Hydroxymethyl-Substituted Phenyl Nitronyl Nitroxides

  摘要：

  The ortho-, meta-, and pora-Hydroxymethyl-substituted 4,4,5,5-tetramethyl-3-oxyl-2-phenylimidazoline 1-oxides (1-3) were synthesized and characterized by X-ray crystallography. The magnetic susceptibility was determined by temperature-dependent SQUID measurements. The nitronyl nitroxides 1 and 3 display a paramagnetic susceptibility which follows the Curie-Weiss law. Weak ferromagnetic interactions can be recognized at very low temperature. The nitronyl nitroxide 2 shows temperature-dependent antiferromagnetic behavior, which can be fitted perfectly with the Heisenberg linear-chain theory with an intrachain exchange interaction of -18.43 cm(-1).

  DOI：

  10.1002/1099-0690(200010)2000:19<3347::aid-ejoc3347>3.0.co;2-t

文献信息

• Magnetic Interactions in Hydrogen-Bonded Networks of Hydroxymethyl-Substituted Phenyl Nitronyl Nitroxides
  作者：Robin Endtner、Eva Rentschler、Dieter Bläser、Roland Boese、Reiner Sustmann

  DOI：10.1002/1099-0690(200010)2000:19<3347::aid-ejoc3347>3.0.co;2-t

  日期：2000.10

  The ortho-, meta-, and pora-Hydroxymethyl-substituted 4,4,5,5-tetramethyl-3-oxyl-2-phenylimidazoline 1-oxides (1-3) were synthesized and characterized by X-ray crystallography. The magnetic susceptibility was determined by temperature-dependent SQUID measurements. The nitronyl nitroxides 1 and 3 display a paramagnetic susceptibility which follows the Curie-Weiss law. Weak ferromagnetic interactions can be recognized at very low temperature. The nitronyl nitroxide 2 shows temperature-dependent antiferromagnetic behavior, which can be fitted perfectly with the Heisenberg linear-chain theory with an intrachain exchange interaction of -18.43 cm(-1).