1-trityl-3-n-butyl-2-selenourea | 103534-21-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1-trityl-3-n-butyl-2-selenourea
• 英文别名: Ph3CNHC(Se)NHnBu；3-Butyl-1-triphenylmethyl-selenoharnstoff；N'-butyl-N-tritylcarbamimidoselenoic acid
• CAS: 103534-21-0
• 化学式: C₂₄H₂₆N₂Se
• 分子量: 421.444
• InChiKey: IPDMKAVJDJWFBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.63
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  trityliso selenocyanate 、 正丁胺 以 环己烷 为溶剂， 以45%的产率得到1-trityl-3-n-butyl-2-selenourea
  参考文献：
  名称：

  The chemistry of trityl isoselenocyanate revisited: A preparative and structural investigation

  摘要：

  The reaction of trityl chloride with KSeCN gives trityl isoselenocyanate which was structurally characterised by X-ray diffraction. Trityl isoselenocyanate reacts with hydrazine to give trityl selenosemicarbazide and with primary amines to give selenourea derivatives. However, with secondary amines mixtures of selenoureas and substitution products are formed. Trityl selenosemicarbazide undergoes a condensation reaction with salicylaldehyde to give the corresponding trityl selenosemicarbazone. In the case of 2-pyridinecarboxaldehyde, the analogous selenosemicarbazone cannot be isolated, instead a small quantity of the diselenide was isolated from the reaction mixture. The compounds prepared here were fully characterised spectroscopically and several also by X-ray diffraction. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.02.021

文献信息

• The chemistry of trityl isoselenocyanate revisited: A preparative and structural investigation
  作者：Mounir Ben Dahman Andaloussi、Fabian Mohr

  DOI：10.1016/j.jorganchem.2010.02.021

  日期：2010.5

  The reaction of trityl chloride with KSeCN gives trityl isoselenocyanate which was structurally characterised by X-ray diffraction. Trityl isoselenocyanate reacts with hydrazine to give trityl selenosemicarbazide and with primary amines to give selenourea derivatives. However, with secondary amines mixtures of selenoureas and substitution products are formed. Trityl selenosemicarbazide undergoes a condensation reaction with salicylaldehyde to give the corresponding trityl selenosemicarbazone. In the case of 2-pyridinecarboxaldehyde, the analogous selenosemicarbazone cannot be isolated, instead a small quantity of the diselenide was isolated from the reaction mixture. The compounds prepared here were fully characterised spectroscopically and several also by X-ray diffraction. (C) 2010 Elsevier B.V. All rights reserved.