[(2,6-((t-Bu)2PCH2)2C5H3N)Cu(OAc)] | 1180536-54-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [(2,6-((t-Bu)2PCH2)2C5H3N)Cu(OAc)]
• 英文别名: copper(1+);ditert-butyl-[[6-(ditert-butylphosphanylmethyl)pyridin-2-yl]methyl]phosphane;acetate
• CAS: 1180536-54-2
• 化学式: C₂₅H₄₆CuNO₂P₂
• 分子量: 518.139
• InChiKey: YJJHEHHBWJBUGG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.99
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  53
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  [Cu(2,6-di(tert-butylphosphinomethyl)pyridine(-H))] 、 溶剂黄146 以 四氢呋喃 、 溶剂黄146 为溶剂， 生成 [(2,6-((t-Bu)2PCH2)2C5H3N)Cu(OAc)]
  参考文献：
  名称：

  Cu^I Complexes with a Noninnocent PNP Ligand: Selective Dearomatization and Electrophilic Addition Reactivity

  摘要：

  The neutral, T-shaped complex Cu-I((PN-PtBu)) (2), featuring a dearomatized 2,6-bis(diphosphino)pyridine (PNP)-pincer ligand, is shown to interact rapidly with electrophiles. This has enabled the synthesis of acetato complex 3. Furthermore, C-C bond formation onto the deprotonated methylene-bridgehead carbon is observed with MeOTf as the electrophile. This represents the first case of selective modification of the lutidine-based backbone of such noninnocent PNP ligands. Theoretical calculations support the formation of monomeric complex 2 and indicate the high reactivity of the methylene fragment in this Cu-I complex.

  DOI：

  10.1021/ic901032c