| 1601312-40-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1601312-40-6
• 化学式: C₁₄H₁₇Br
• 分子量: 265.193
• InChiKey: JREMXRKHHXRUFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.72
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  在 silica gel 作用下， 反应 72.0h， 以4.7 g的产率得到6-bromo-1-(o-tolyl)cycloheptene
  参考文献：
  名称：

  Auto de-bromine-coupling reactions of 1-aryl-7-bromocycloheptenes

  摘要：

  Auto de-bromine-coupling reactions of 1-aryl-7-bromocycloheptenes to a new series of [7-6-6] tricyclic system were described. A variety of substituents at the para-position of the phenyl were amenable to this transformation, including electron-donating groups and halides. The presence of electron-donating groups resulted in a more efficient reaction, with higher yields than the case of halides. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.03.023
• 作为产物：
  描述：

  1-(2-甲基苯基)环庚烯 在 溴 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Auto de-bromine-coupling reactions of 1-aryl-7-bromocycloheptenes

  摘要：

  Auto de-bromine-coupling reactions of 1-aryl-7-bromocycloheptenes to a new series of [7-6-6] tricyclic system were described. A variety of substituents at the para-position of the phenyl were amenable to this transformation, including electron-donating groups and halides. The presence of electron-donating groups resulted in a more efficient reaction, with higher yields than the case of halides. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.03.023