1-(2,5-Dimethylphenyl)pentane-1,4-dione | 1247615-76-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,5-Dimethylphenyl)pentane-1,4-dione
• CAS: 1247615-76-4
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: QSDKYBMSVATXTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2,5-Dimethylphenyl)pentane-1,4-dione 在 三乙基硅烷 、 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以85%的产率得到1,5,8-三甲基四啉
  参考文献：
  名称：

  A facile preparation of tetralins from arene-1,4-diones using titanium(IV) chloride and triethylsilane

  摘要：

  A facile method for the synthesis of tetralins has been described which uses various substituted phenylpentane-1,4-diones as starting material with a combination of TiCl4/Et3SiH. The synthesis involves three reactions under mild conditions. A mechanism has been proposed for the reductive cyclization through ionic hydrogenation, and titanium(IV) chloride catalyzed cyclization. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.054

文献信息

• A facile preparation of tetralins from arene-1,4-diones using titanium(IV) chloride and triethylsilane
  作者：Gang Li、Qiong Xiao、Chun Li、Xiaojian Wang、Dali Yin

  DOI：10.1016/j.tetlet.2011.10.054

  日期：2011.12

  A facile method for the synthesis of tetralins has been described which uses various substituted phenylpentane-1,4-diones as starting material with a combination of TiCl4/Et3SiH. The synthesis involves three reactions under mild conditions. A mechanism has been proposed for the reductive cyclization through ionic hydrogenation, and titanium(IV) chloride catalyzed cyclization. (C) 2011 Elsevier Ltd. All rights reserved.