1-chloro-2-(2-naphthyl)-1-phenylethane | 1275315-42-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1-chloro-2-(2-naphthyl)-1-phenylethane
• 英文别名: 2-(2-Chloro-2-phenylethyl)naphthalene
• CAS: 1275315-42-8
• 化学式: C₁₈H₁₅Cl
• mdl: MFCD19158741
• 分子量: 266.77
• InChiKey: WORSEPOHJKAUCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  (1Z,3E)-2-chloro-1-phenyl-4-(o-styrenyl)-1,3-butadiene 以 甲苯 为溶剂， 以90%的产率得到1-chloro-2-(2-naphthyl)-1-phenylethane
  参考文献：
  名称：

  Thermal electrocyclization reactions II: benzooctatetraenes and benzodecapentaenes

  摘要：

  Thermal electrocyclization reactions of benzooctatetraenes and benzodecapentaenes substituted with R=H, Cl, and methyl were studied experimentally and computationally. Methyl and unsubstituted benzooctatetraenes and benzodecapentaenes give the [4.2.0]bicyclooctadiene products by 8 pi,6 pi-electrocyclization. Chlorine substitution led to thermal rearrangement of the initially formed 8 pi,6 pi-electrocyclization intermediates to give unprecedented products. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.12.027

文献信息

• Thermal electrocyclization reactions II: benzooctatetraenes and benzodecapentaenes
  作者：Dragana Vuk、Željko Marinić、Krešimir Molčanov、Davor Margetić、Irena Škorić

  DOI：10.1016/j.tet.2013.12.027

  日期：2014.1

  Thermal electrocyclization reactions of benzooctatetraenes and benzodecapentaenes substituted with R=H, Cl, and methyl were studied experimentally and computationally. Methyl and unsubstituted benzooctatetraenes and benzodecapentaenes give the [4.2.0]bicyclooctadiene products by 8 pi,6 pi-electrocyclization. Chlorine substitution led to thermal rearrangement of the initially formed 8 pi,6 pi-electrocyclization intermediates to give unprecedented products. (C) 2013 Elsevier Ltd. All rights reserved.