meta-chlorophenyldichlorocarbanion | 1259408-15-5

• 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: meta-chlorophenyldichlorocarbanion
• 英文别名: 1-chloro-3-(dichloromethyl)benzene
• CAS: 1259408-15-5
• 化学式: C₇H₄Cl₃
• 分子量: 194.468
• InChiKey: FBGOVEZNOZVAJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  meta-chlorophenyldichlorocarbanion 在 四丁基氯化铵 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 meta-chlorophenylchlorocarbene
  参考文献：
  名称：

  Hammett Analyses of Halocarbene–Halocarbanion Equilibria

  摘要：

  Substituted arylchlorocarbenes (X = H, p-Cl, p-CF3, p-F, m-Cl) reacted reversibly with Cl- in dichloroethane to form the corresponding aryldichloromethide carbanions. Equilibrium constants and rate constants for the forward and reverse reactions were correlated by the Hammett equation. DFT methods were used to compute equilibrium constants and electronic absorption spectra.

  DOI：

  10.1021/ol400698y
• 作为产物：
  描述：

  meta-chlorophenylchlorocarbene 在 四丁基氯化铵 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 meta-chlorophenyldichlorocarbanion
  参考文献：
  名称：

  Hammett Analyses of Halocarbene–Halocarbanion Equilibria

  摘要：

  Substituted arylchlorocarbenes (X = H, p-Cl, p-CF3, p-F, m-Cl) reacted reversibly with Cl- in dichloroethane to form the corresponding aryldichloromethide carbanions. Equilibrium constants and rate constants for the forward and reverse reactions were correlated by the Hammett equation. DFT methods were used to compute equilibrium constants and electronic absorption spectra.

  DOI：

  10.1021/ol400698y

文献信息

• Hammett Analyses of Halocarbene–Halocarbanion Equilibria
  作者：Lei Wang、Robert A. Moss、Karsten Krogh-Jespersen

  DOI：10.1021/ol400698y

  日期：2013.4.19

  Substituted arylchlorocarbenes (X = H, p-Cl, p-CF3, p-F, m-Cl) reacted reversibly with Cl- in dichloroethane to form the corresponding aryldichloromethide carbanions. Equilibrium constants and rate constants for the forward and reverse reactions were correlated by the Hammett equation. DFT methods were used to compute equilibrium constants and electronic absorption spectra.