N-<3,5-di(tert-butyl)-4-hydroxy>benzylthiourea | 79490-15-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-<3,5-di(tert-butyl)-4-hydroxy>benzylthiourea
• 英文别名: N-(3,5-di-tert-butyl-4-hydroxybenzyl)thiourea；N-[(3,5-Di-tert-butyl-4-hydroxyphenyl)methyl]thiourea；(3,5-ditert-butyl-4-hydroxyphenyl)methylthiourea
• CAS: 79490-15-6
• 化学式: C₁₆H₂₆N₂OS
• 分子量: 294.461
• InChiKey: HSVRESMLGJHCRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  90.4
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-<3,5-di(tert-butyl)-4-hydroxy>benzylthiourea 在 水 、 三乙胺 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 6.0h， 生成 3,5-di(tert-butyl)-4-hydroxybenzylurea
  参考文献：
  名称：

  Acetyl chloride-3,5-di(tert-butyl)-4-hydroxy-N,N-dimethylbenzylamme salt in the benzylation of organic and inorganic sulfur-containing compounds

  摘要：

  The reactions of the quaternary acylammonium salt formed on treatment of 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzylamine with acetyl chloride, with various organic and inorganic sulfur-containing compounds were studied. The possibility of using this salt for the introduction of a sterically hindered phenol moiety in various sulfur-containing compounds was shown.

  DOI：

  10.1007/bf00699143
• 作为产物：
  描述：

  2,6-二叔丁基对(二甲氨甲基)苯酚 在 三乙胺 作用下， 以 丙酮 、 乙腈 为溶剂， 反应 1.5h， 生成 N-<3,5-di(tert-butyl)-4-hydroxy>benzylthiourea
  参考文献：
  名称：

  Acetyl chloride-3,5-di(tert-butyl)-4-hydroxy-N,N-dimethylbenzylamme salt in the benzylation of organic and inorganic sulfur-containing compounds

  摘要：

  The reactions of the quaternary acylammonium salt formed on treatment of 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzylamine with acetyl chloride, with various organic and inorganic sulfur-containing compounds were studied. The possibility of using this salt for the introduction of a sterically hindered phenol moiety in various sulfur-containing compounds was shown.

  DOI：

  10.1007/bf00699143

文献信息

• Structure and intermolecular interactions of N-(3,5-di-tert-butyl-4-hydroxybenzyl)thioureas
  作者：S. V. Bukharov、I. A. Litvinov、A. T. Gubaidullin、A. V. Chernova、R. R. Shagidullin、G. N. Nugumanova、N. A. Mukmeneva

  DOI：10.1007/s11176-005-0092-6

  日期：2004.11

  The molecular and crystal structure and the hydrogen bonding in crystal and in solutions of N-phenyl-N-(3,5-di-tert-butyl-4-hydroxybenzyl)thiourea and N-(3,5-di-tert-butyl-4- hydroxybenzyl)thiourea were studied by single crystal X-ray diffraction and IR spectroscopy. The intermolecular interactions of these compounds are essentially different.

  N-苯基-N-(3,5-二叔丁基-4-羟基苄基)硫脲和N-(3,5-二叔丁基)的分子和晶体结构以及晶体和溶液中的氢键通过单晶X射线衍射和红外光谱研究了-4-羟基苄基)硫脲。这些化合物的分子间相互作用本质上是不同的。
• JPH0656764A
  申请人：——

  公开号：JPH0656764A

  公开（公告）日：1994-03-01