N,N-dimethyl-4-(2,3,4,5-tetrachloro-cyclopentadienylidenemethyl)-aniline | 58633-14-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-dimethyl-4-(2,3,4,5-tetrachloro-cyclopentadienylidenemethyl)-aniline
• 英文别名: N,N-Dimethyl-4-(2,3,4,5-tetrachlor-cyclopentadienylidenmethyl)-anilin；1,2,3,4-Tetrachlor-6-(p-dimethylaminophenyl)pentafulven；(2,3,4,5-Tetrachloro-2,4-cyclopentadienylidene)(p-dimethylaminophenyl)methane；N,N-dimethyl-4-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)methyl]aniline
• CAS: 58633-14-0
• 化学式: C₁₄H₁₁Cl₄N
• 分子量: 335.06
• InChiKey: DKIFNURNGGRBHU-UHFFFAOYSA-N

物化性质

• 沸点：
  364.6±42.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  六氯环戊二烯 在 盐酸 、 Petroleum ether 、 锌 作用下， 生成 N,N-dimethyl-4-(2,3,4,5-tetrachloro-cyclopentadienylidenemethyl)-aniline
  参考文献：
  名称：

  1,2,3,4-Tetrachlorocyclopentadiene. I. The Preparation of the Diene and its Reaction with Aromatic Aldehydes and Dienophiles

  摘要：

  DOI：

  10.1021/ja01606a027

文献信息

• Novel D-π-A Chromophores Based on the Fulvene Accepting Moiety
  作者：Emad Aqad、Philippe Leriche、Gilles Mabon、Alain Gorgues、Vladimir Khodorkovsky

  DOI：10.1021/ol016143n

  日期：2001.7.1

  [GRAPHICS]Novel D-pi -A chromophores based on the fulvene accepting moiety and p-dimethylamino phenyl and 1,3-dithiole-2-ylidene donor moieties have been prepared. The X-ray structures of two representative derivatives have been determined. Examination of the UV-visible spectra and cyclic voltamperometry data revealed remarkable sensitivity of the electronic structure of these derivatives to substituents at the cyclopentadiene ring.
• 1,2,3,4-Tetrachlorocyclopentadiene. I. The Preparation of the Diene and its Reaction with Aromatic Aldehydes and Dienophiles
  作者：E. T. McBee、R. K. Meyers、C. F. Baranauckas

  DOI：10.1021/ja01606a027

  日期：1955.1

表征谱图