ditert-butyl-[(Z)-(8-fluoroquinolin-1-id-2-ylidene)methyl]phosphane;fluorobenzene;palladium(2+) | 1417220-05-3

• 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: ditert-butyl-[(Z)-(8-fluoroquinolin-1-id-2-ylidene)methyl]phosphane;fluorobenzene;palladium(2+)
• CAS: 1417220-05-3
• 化学式: C₂₄H₂₈F₂NPPd
• 分子量: 505.884
• InChiKey: DNDGOVIMADDVQB-NEKXZPCZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ditert-butyl-[(Z)-(8-fluoroquinolin-1-id-2-ylidene)methyl]phosphane;fluorobenzene;palladium(2+) 在 水 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 1.0h， 以90%的产率得到
  参考文献：
  名称：

  Room Temperature Rapid Functionalization of E–H Bonds (E = O, N, S) via the Metal–Ligand Cooperation Mechanism

  摘要：

  An arylpalladium PNF-type pincer complex reacts with water and anilines under very mild conditions, providing access to new PNO- and PNN-pincer complexes with concomitant hydrogen transfer to the ligand core. Such a metal-ligand cooperation mode allows for the irreversible double activation of even highly sterically hindered aniline molecules. With thiols, the activation mode depends on the nature of the substituent at the sulfur atom, with thiophenols giving products of C-S elimination.

  DOI：

  10.1021/ic402315a
• 作为试剂：
  描述：

  2,6-二甲基巯基苯酚 、 对氟碘苯 在 ditert-butyl-[(Z)-(8-fluoroquinolin-1-id-2-ylidene)methyl]phosphane;fluorobenzene;palladium(2+) 作用下， 以 苯 为溶剂， 反应 0.08h， 以92%的产率得到4-Fluoro-2',6'-dimethyldiphenyl sulphide
  参考文献：
  名称：

  Room Temperature Rapid Functionalization of E–H Bonds (E = O, N, S) via the Metal–Ligand Cooperation Mechanism

  摘要：

  An arylpalladium PNF-type pincer complex reacts with water and anilines under very mild conditions, providing access to new PNO- and PNN-pincer complexes with concomitant hydrogen transfer to the ligand core. Such a metal-ligand cooperation mode allows for the irreversible double activation of even highly sterically hindered aniline molecules. With thiols, the activation mode depends on the nature of the substituent at the sulfur atom, with thiophenols giving products of C-S elimination.

  DOI：

  10.1021/ic402315a

文献信息

• Room Temperature Rapid Functionalization of E–H Bonds (E = O, N, S) via the Metal–Ligand Cooperation Mechanism
  作者：Adam Scharf、Israel Goldberg、Arkadi Vigalok

  DOI：10.1021/ic402315a

  日期：2014.1.6

  An arylpalladium PNF-type pincer complex reacts with water and anilines under very mild conditions, providing access to new PNO- and PNN-pincer complexes with concomitant hydrogen transfer to the ligand core. Such a metal-ligand cooperation mode allows for the irreversible double activation of even highly sterically hindered aniline molecules. With thiols, the activation mode depends on the nature of the substituent at the sulfur atom, with thiophenols giving products of C-S elimination.