| 1266238-82-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1266238-82-7
• 化学式: C₂₂H₄₂I₄N₆Pd₂
• 分子量: 1111.07
• InChiKey: CNZGMXWVMMTZPY-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -8.69
• 重原子数：
  34
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  37.2
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  双(乙腈)氯化钯(II) 、 1,4-dibutyl-3-methyl-1,2,3-triazolium iodide 、 sodium iodide 在 Ag₂O 作用下， 以 二氯甲烷 为溶剂， 以71%的产率得到
  参考文献：
  名称：

  Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes

  摘要：

  Palladation of N3-alkylated 1,2,3-triazolium salts with Pd(OAc)(2) afforded a mu(2)-I-2 bridged bimetallic complex [Pd(trz)I-2](2) and monometallic bis(carbene) complexes Pd(trz)(2)I-2 as a mixture of trans and cis isomers (trz = 1,2,3-triazol-5-ylidene). Addition of excess halide or modification of the palladation procedure from direct functionalization to a transmetalation sequence involving a silver intermediate allowed for chemoselective formation of the bis(carbene) complex, while subsequent anion metathesis with NaI produced the monometallic bis(carbene) complexes exclusively. Modification of the wingtip group had little influence on the metalation to palladium or rhodium(I) via transmetalation. According to NMR analysis using delta(C) and (1)J(Rh-C), subtle but noticeable tunability of the metal electronic properties was identified. In addition, phenyl wingtip groups as N-substituents in the triazolylidene ligands were susceptible to cyclopalladation in the presence of NaOAc and are thus not chemically inert.

  DOI：

  10.1021/om101076u