1-Chloro-4-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene | 460353-41-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-Chloro-4-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene
• 英文别名: 1-chloro-4-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene
• CAS: 460353-41-7
• 化学式: C₁₅H₁₇Cl
• 分子量: 232.753
• InChiKey: VBEAKFAZRQEOBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  十二羰基三钌 、 1-Chloro-4-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene 以 xylene 为溶剂， 以53%的产率得到[(η5-C5Me4C6H4-4-Cl)Ru(CO)(μ-CO)]2
  参考文献：
  名称：

  Synthesis and structures of aryl-substituted tetramethylcyclopentadienyl dinuclear metal carbonyl complexes

  摘要：

  A series of 14 aryl-substituted tetramethylcyclopentadienyl dinuclear metal carbonyl complexes have been synthesized by treating the corresponding ligands (C5Me4C6H4X-4) (X = H, Me, Cl, OMe) with Ru-3(CO)(12), Fe(CO)(5), or Mo(CO)(3)(MeCN)(3), respectively in refluxing xylene. It showed that the electronic effects of the substituents had influence on the molecular structures and reactions of the complexes, especially for the ruthenium and molybdenum complexes. In the reactions of aryl-substituted tetramethylcyclopentadiene with Mo(CO)(3)(MeCN)(3), the electron-withdrawing effect of the substituent in the para position of benzene ring is favorable to produce the Mo-Mo triple bonded complexes, but the electron-donor effect of the substituent in the para position of benzene ring is favorable to produce the Mo-Mo single bonded complexes. In a given condition, the Mo-Mo single bonded complex could be transformed into the corresponding Mo-Mo triple bonded complex. The structures of nine complexes were determined by single crystal X-ray diffraction. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.05.043

文献信息

• Synthesis and structures of aryl-substituted tetramethylcyclopentadienyl dinuclear metal carbonyl complexes
  作者：Jin Lin、Peng Gao、Bin Li、Shansheng Xu、Haibin Song、Baiquan Wang

  DOI：10.1016/j.ica.2006.05.043

  日期：2006.11

  A series of 14 aryl-substituted tetramethylcyclopentadienyl dinuclear metal carbonyl complexes have been synthesized by treating the corresponding ligands (C5Me4C6H4X-4) (X = H, Me, Cl, OMe) with Ru-3(CO)(12), Fe(CO)(5), or Mo(CO)(3)(MeCN)(3), respectively in refluxing xylene. It showed that the electronic effects of the substituents had influence on the molecular structures and reactions of the complexes, especially for the ruthenium and molybdenum complexes. In the reactions of aryl-substituted tetramethylcyclopentadiene with Mo(CO)(3)(MeCN)(3), the electron-withdrawing effect of the substituent in the para position of benzene ring is favorable to produce the Mo-Mo triple bonded complexes, but the electron-donor effect of the substituent in the para position of benzene ring is favorable to produce the Mo-Mo single bonded complexes. In a given condition, the Mo-Mo single bonded complex could be transformed into the corresponding Mo-Mo triple bonded complex. The structures of nine complexes were determined by single crystal X-ray diffraction. (c) 2006 Elsevier B.V. All rights reserved.