[1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]-[5-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]phosphanyl-1,2,3,4,5,6,7,8,9,10-decaphosphapentacyclo[4.4.0.02,4.03,7.08,10]decan-9-yl]phosphane | 960404-10-8

• 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: [1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]-[5-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]phosphanyl-1,2,3,4,5,6,7,8,9,10-decaphosphapentacyclo[4.4.0.02,4.03,7.08,10]decan-9-yl]phosphane
• 英文别名: [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]-[5-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]phosphanyl-1,2,3,4,5,6,7,8,9,10-decaphosphapentacyclo[4.4.0.02,4.03,7.08,10]decan-9-yl]phosphane
• CAS: 960404-10-8
• 化学式: C₅₄H₇₆N₄P₁₂
• 分子量: 1152.91
• InChiKey: NVSSLZGXMBEVOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.8
• 重原子数：
  70
• 可旋转键数：
  14
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-双(2,6-二异丙苯基)咪唑啉酮-2-亚基 在 phosphorus 作用下， 以 正己烷 为溶剂， 反应 16.0h， 以81%的产率得到[1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]-[5-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]phosphanyl-1,2,3,4,5,6,7,8,9,10-decaphosphapentacyclo[4.4.0.02,4.03,7.08,10]decan-9-yl]phosphane
  参考文献：
  名称：

  NHC-Mediated Aggregation of P₄:  Isolation of a P₁₂ Cluster

  摘要：

  Just like transition metal complexes, N-heterocyclic carbenes (NHCs) promote the aggregation of white phosphorus (P-4) as shown by the high yield synthesis of a P-12 cluster capped by two NHCs. The nuclearity observed is equal to that of the largest phosphorus cluster prepared using transition metals, but the architecture of the P-12 core is entirely novel.

  DOI：

  10.1021/ja077296u

文献信息

• NHC-Mediated Aggregation of P₄:  Isolation of a P₁₂ Cluster
  作者：Jason D. Masuda、Wolfgang W. Schoeller、Bruno Donnadieu、Guy Bertrand

  DOI：10.1021/ja077296u

  日期：2007.11.1

  Just like transition metal complexes, N-heterocyclic carbenes (NHCs) promote the aggregation of white phosphorus (P-4) as shown by the high yield synthesis of a P-12 cluster capped by two NHCs. The nuclearity observed is equal to that of the largest phosphorus cluster prepared using transition metals, but the architecture of the P-12 core is entirely novel.