1-cyclopentadienylidene-4-methyl-4-trichloromethylcyclohexa-2,5-diene | 185307-47-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 1-cyclopentadienylidene-4-methyl-4-trichloromethylcyclohexa-2,5-diene
• 英文别名: 6-cyclopenta-2,4-dien-1-ylidene-3-methyl-3-(trichloromethyl)cyclohexa-1,4-diene
• CAS: 185307-47-5
• 化学式: C₁₃H₁₁Cl₃
• 分子量: 273.589
• InChiKey: DSUPAGVEVHPBAI-UHFFFAOYSA-N

物化性质

• 沸点：
  353.9±22.0 °C(Predicted)
• 密度：
  1.364±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 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：

  三(三苯基膦)羰基氢化铑 、 1-cyclopentadienylidene-4-methyl-4-trichloromethylcyclohexa-2,5-diene 以 1,4-二氧六环 为溶剂， 以59%的产率得到
  参考文献：
  名称：

  Aromatizational rhodiation of 1-cyciopentadienylidene4-methyl-4-trichloromethylcyclohexa-2,5-diene under the action of (Ph3P)3Rh(CO)H and (C2H4)2Rh(acac) as a novel route top-tolylcyclopentadienyl complexes of transition metals

  摘要：

  Condensation of 4-methyl-4-trichloromethylcyclohexa-2,5-dienone with cyclopentadiene gave the first representative of cross-conjugated pentafulvenes of the paro-semiquinoid series: 1-cyclopentadienylidene-4-methyl-4-trichloromethylcyclohexa-2,5-diene. This fulvene undergoes a novel redox aromatizational skeletal rearrangement under the action of (Ph(3)P)(3)Rh(CO)H and (C2H4)(2)Rh(acac) to give triphenylphosphine[eta(5)-(p-tolylcyclopentadienyl)]dichlororhodium and bis[(eta(5)-p-tolylcyclopentadienyl)(mu-chloro)chlorohodium], respectively.

  DOI：

  10.1007/bf01457794
• 作为产物：
  描述：

  4-甲基-4-(三氯甲基)环己-2,5-二烯-1-酮 、 环戊二烯 在 四氢吡咯 作用下， 以 甲醇 为溶剂， 反应 1.5h， 以78%的产率得到1-cyclopentadienylidene-4-methyl-4-trichloromethylcyclohexa-2,5-diene
  参考文献：
  名称：

  Aromatizational rhodiation of 1-cyciopentadienylidene4-methyl-4-trichloromethylcyclohexa-2,5-diene under the action of (Ph3P)3Rh(CO)H and (C2H4)2Rh(acac) as a novel route top-tolylcyclopentadienyl complexes of transition metals

  摘要：

  Condensation of 4-methyl-4-trichloromethylcyclohexa-2,5-dienone with cyclopentadiene gave the first representative of cross-conjugated pentafulvenes of the paro-semiquinoid series: 1-cyclopentadienylidene-4-methyl-4-trichloromethylcyclohexa-2,5-diene. This fulvene undergoes a novel redox aromatizational skeletal rearrangement under the action of (Ph(3)P)(3)Rh(CO)H and (C2H4)(2)Rh(acac) to give triphenylphosphine[eta(5)-(p-tolylcyclopentadienyl)]dichlororhodium and bis[(eta(5)-p-tolylcyclopentadienyl)(mu-chloro)chlorohodium], respectively.

  DOI：

  10.1007/bf01457794

文献信息

• Aromatizational rhodiation of 1-cyciopentadienylidene4-methyl-4-trichloromethylcyclohexa-2,5-diene under the action of (Ph3P)3Rh(CO)H and (C2H4)2Rh(acac) as a novel route top-tolylcyclopentadienyl complexes of transition metals
  作者：V. A. Nikanorov、S. E. Mochalovskii、A. Y. Komissarov、S. V. Sergeev、D. V. Zverev、T. I. Strelkova、E. V. Vorontsov、P. V. Petrovskii

  DOI：10.1007/bf01457794

  日期：1996.8

  Condensation of 4-methyl-4-trichloromethylcyclohexa-2,5-dienone with cyclopentadiene gave the first representative of cross-conjugated pentafulvenes of the paro-semiquinoid series: 1-cyclopentadienylidene-4-methyl-4-trichloromethylcyclohexa-2,5-diene. This fulvene undergoes a novel redox aromatizational skeletal rearrangement under the action of (Ph(3)P)(3)Rh(CO)H and (C2H4)(2)Rh(acac) to give triphenylphosphine[eta(5)-(p-tolylcyclopentadienyl)]dichlororhodium and bis[(eta(5)-p-tolylcyclopentadienyl)(mu-chloro)chlorohodium], respectively.