2-(di-tert-butylphosphoroselenoyl)-4-methyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-selone | 1408232-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(di-tert-butylphosphoroselenoyl)-4-methyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-selone
• 英文别名: Ditert-butyl-(4-methyl-3-phenyl-5-selanylidene-1,2,4-triazol-1-yl)-selenidophosphanium；ditert-butyl-(4-methyl-3-phenyl-5-selanylidene-1,2,4-triazol-1-yl)-selenidophosphanium
• CAS: 1408232-07-4
• 化学式: C₁₇H₂₆N₃PSe₂
• 分子量: 461.307
• InChiKey: KDYBWTTYIBHSIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  18.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  bromodi(tert-butyl)phosphane 在 selenium 、 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 、 吡啶 、 苯 为溶剂， 反应 45.0h， 生成 2-(di-tert-butylphosphoroselenoyl)-4-methyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-selone
  参考文献：
  名称：

  Stable N-Phosphorylated 1,2,4-Triazol-5-ylidenes: Novel Ligands for Metal Complexes

  摘要：

  Synthetic routes to novel N-phosphorylated 1,2,4-triazolium salts have been developed. Treatment of the specified salts with strong base produces new stable N-phosphorylated 1,2,4-triazol-5-ylidenes, which add Se in two stages (first at the carbene carbon and then at phosphorus) and rearrange to C-phosphorylated triazoles with heating. The capacity of such N-phosphorylated triazol-5-ylidenes to act as bidentate ligands toward transition-metal centers has also been demonstrated; in particular, the formation of two dinuclear silver carbene complexes is described herein. The structures of one representative carbene and of one carbene complex were determined by an X-ray study.

  DOI：

  10.1021/om300872g

文献信息

• Stable N-Phosphorylated 1,2,4-Triazol-5-ylidenes: Novel Ligands for Metal Complexes
  作者：Anatoliy P. Marchenko、Heorgiy N. Koidan、Evgeniy V. Zarudnitskii、Anastasiya N. Hurieva、Andrey A. Kirilchuk、Aleksandr A. Yurchenko、Andrea Biffis、Aleksandr N. Kostyuk

  DOI：10.1021/om300872g

  日期：2012.12.10

  Synthetic routes to novel N-phosphorylated 1,2,4-triazolium salts have been developed. Treatment of the specified salts with strong base produces new stable N-phosphorylated 1,2,4-triazol-5-ylidenes, which add Se in two stages (first at the carbene carbon and then at phosphorus) and rearrange to C-phosphorylated triazoles with heating. The capacity of such N-phosphorylated triazol-5-ylidenes to act as bidentate ligands toward transition-metal centers has also been demonstrated; in particular, the formation of two dinuclear silver carbene complexes is described herein. The structures of one representative carbene and of one carbene complex were determined by an X-ray study.