7,9-dimethylpurinium iodide | 19165-48-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 7,9-dimethylpurinium iodide
• 英文别名: 7,9-Dimethyl-purinium; Jodid；7,9-Dimethyl-7H-purin-9-ium iodide；7,9-dimethylpurin-9-ium;iodide
• CAS: 19165-48-1
• 化学式: C₇H₉N₄*I
• 分子量: 276.08
• InChiKey: RPVAUGICHACYHU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  34.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  chloro(1,5-cyclooctadiene)rhodium(I) dimer 、 7,9-dimethylpurinium iodide 在 NaH 作用下， 以 乙醇 为溶剂， 以61%的产率得到iodo(η4-1,5-cyclooctadiene)(7,9-dimethylpurin-8-ylidene)rhodium(I)
  参考文献：
  名称：

  N-Heterocyclic Carbenes:  Synthesis, Structures, and Electronic Ligand Properties^,

  摘要：

  N-Heterocyclic carbene (NHC) rhodium(l) complexes of general formula Rh(COD)X(NHC) are synthesized and structurally characterized (spectroscopy, X-ray diffraction). The relative sigma-donor/pi-acceptor quality of various NHC ligands was examined and classified by means of IR spectroscopy at the corresponding Rh(CO)(2)I(NHC) complexes. The first single-crystal X-ray diffraction studies of rhodium pyrazolin- and tetrazolinylidene complexes are reported. A wide variety of different azolium salts was applied to obtain rhodium and iridium complexes with two and four carbene ligands.

  DOI：

  10.1021/om0600801
• 作为产物：
  描述：

  碘甲烷 、 alkaline earth salt of/the/ methylsulfuric acid 在 甲醇 作用下， 生成 7,9-dimethylpurinium iodide
  参考文献：
  名称：

  Fischer,E., Chemische Berichte, 1898, vol. 31, p. 2546,2547

  摘要：

  DOI：

文献信息

• Fischer,E., Chemische Berichte, 1898, vol. 31, p. 2546,2547
  作者：Fischer,E.

  DOI：——

  日期：——
• <i>N</i>-Heterocyclic Carbenes:  Synthesis, Structures, and Electronic Ligand Properties^,
  作者：Wolfgang A. Herrmann、Jan Schütz、Guido D. Frey、Eberhardt Herdtweck

  DOI：10.1021/om0600801

  日期：2006.5.1

  N-Heterocyclic carbene (NHC) rhodium(l) complexes of general formula Rh(COD)X(NHC) are synthesized and structurally characterized (spectroscopy, X-ray diffraction). The relative sigma-donor/pi-acceptor quality of various NHC ligands was examined and classified by means of IR spectroscopy at the corresponding Rh(CO)(2)I(NHC) complexes. The first single-crystal X-ray diffraction studies of rhodium pyrazolin- and tetrazolinylidene complexes are reported. A wide variety of different azolium salts was applied to obtain rhodium and iridium complexes with two and four carbene ligands.