2-(3,3-Dimethylbutyl)-1,4-benzenedicarboxaldehyde | 870853-97-7

• 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: 2-(3,3-Dimethylbutyl)-1,4-benzenedicarboxaldehyde
• 英文别名: 2-(3,3-dimethylbutyl)terephthalaldehyde
• CAS: 870853-97-7
• 化学式: C₁₄H₁₈O₂
• 分子量: 218.296
• InChiKey: FZBMXKFUCKCIJX-UHFFFAOYSA-N

物化性质

• 沸点：
  341.0±35.0 °C(Predicted)
• 密度：
  1.031±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,3-二甲基-1-丁烯 、 N,N'-(1,4-phenylenedimethylidene)bis[benzenamine] 在 [RhCl(coe)2]2Cy₃P 盐酸 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 2-(3,3-Dimethylbutyl)-1,4-benzenedicarboxaldehyde 、 2,6-Bis(3,3-dimethylbutyl)terephthalaldehyde 、 2,5-Bis(3,3-dimethylbutyl)terephthalaldehyde
  参考文献：
  名称：

  Rhodium-catalyzed alkylation of terephthaldialdimine with terminal alkenes via C–H bond activation

  摘要：

  Terephthaldialdimine 1a reacted with alkenes to give 2,6-dialkylated products selectively in moderate to high isolated yields. In the case of terephthaldialdimine 1b having a substituent at site 2 in the phenyl ring, the alkylation takes place selectively at site 6 in the phenyl ring. In this alkylation, a meta-substituent affected the reactivity significantly because of the steric hindrance. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.09.067

文献信息

• Rhodium-catalyzed alkylation of terephthaldialdimine with terminal alkenes via C–H bond activation
  作者：Yeong-Gweon Lim、Bon Tak Koo

  DOI：10.1016/j.tetlet.2005.09.067

  日期：2005.11

  Terephthaldialdimine 1a reacted with alkenes to give 2,6-dialkylated products selectively in moderate to high isolated yields. In the case of terephthaldialdimine 1b having a substituent at site 2 in the phenyl ring, the alkylation takes place selectively at site 6 in the phenyl ring. In this alkylation, a meta-substituent affected the reactivity significantly because of the steric hindrance. (c) 2005 Elsevier Ltd. All rights reserved.