2-chloro-1-methyl-4-(phenylamino)pyridinium triflate | 1334844-47-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 2-chloro-1-methyl-4-(phenylamino)pyridinium triflate
• CAS: 1334844-47-1
• 化学式: CHF₃O₃S*C₁₂H₁₁ClN₂
• 分子量: 368.764
• InChiKey: MIDTYPMNUSKXJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.96
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  73.11
• 氢给体数：
  1.0
• 氢受体数：
  4.0

文献信息

• Amine-substituted α-N(standard)- and δ-N(remote)-pyridylidene complexes: Synthesis and bonding
  作者：Elzet Stander-Grobler、Christoph E. Strasser、Oliver Schuster、Stephanie Cronje、Helgard Raubenheimer

  DOI：10.1016/j.ica.2011.05.038

  日期：2011.10

  Reaction of ortho-amino-para-chloro- and ortho-chloro-para-amino-pyridinium triflate with tetrakis(triphenylphosphine) complexes of Ni or Pd afforded by oxidative substitution compounds that can be represented as cationic carbene complexes. NMR as well as X-ray structural studies revealed the role played by the NMe2 and M(PPh)(2)Cl (M = Ni or Pd) substituents in stabilizing the complexes by pi-retro-donation and, consequently, in governing the relative importance of certain mesomeric representations describing their structures. (C) 2011 Elsevier B.V. All rights reserved.