2-((4-chlorophenyl)(phenyl)methyl)-1-phenylbutane-1,3-dione | 1092839-39-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-((4-chlorophenyl)(phenyl)methyl)-1-phenylbutane-1,3-dione
• 英文别名: 2-[(4-chlorophenyl)(phenyl)methyl]-1-phenylbutane-1,3-dione；2-[(4-Chlorophenyl)-phenylmethyl]-1-phenylbutane-1,3-dione
• CAS: 1092839-39-8
• 化学式: C₂₃H₁₉ClO₂
• 分子量: 362.856
• InChiKey: BUZKWRUGNRSEDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 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：

  4-氯二苯甲醇 、 1-苯基-1,3-丁二酮 在 phosphotungstic acid 作用下， 以 甲苯 为溶剂， 反应 7.0h， 以94%的产率得到2-((4-chlorophenyl)(phenyl)methyl)-1-phenylbutane-1,3-dione
  参考文献：
  名称：

  磷钨酸催化β-二羰基化合物的直接苄基化

  摘要：

  12-磷钨酸被用作一种高效、环保、空气和湿气稳定的催化剂，以促进苯甲醇和烯丙醇的羟基被各种β-二羰基化合物直接取代。这种强大的碳-碳键形成反应方案提供了高产率和高效率的单烷基化二羰基化合物。（© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008）

  DOI：

  10.1002/ejoc.200800624

文献信息

• Synthesis and structure of an air-stable bis(isopropylcyclopentadienyl) zirconium perfluorooctanesulfonate and its catalyzed benzylation of 1,3-dicarbonyl derivatives with alcohols
  作者：Xiaohong Zhang、Renhua Qiu、Congcong Zhou、Jingxing Yu、Ningbo Li、Shuangfeng Yin、Xinhua Xu

  DOI：10.1016/j.tet.2014.12.101

  日期：2015.2

  An air-stable uninuclear complex of bis(isopropylcyclopentadienyl) zirconium perfluorooctane sulfonate (1a center dot H2O center dot 3THF) was successfully synthesized by the reaction of (i-PrCp)(2)ZrCl2 with C17SO3Ag. The compound 1a center dot H2O center dot 3THF was characterized by different techniques (such as X-ray single crystal diffraction, TG-DSC, conductivity measurement and acid strength) and found to have the similar nature of water tolerance, air-stability, thermally-stability and strong Lewis-acidity with that of our previously reported binuclear and uninuclear zirconocenes perfluorooctanesulfonate. This novel complex was confirmed to be an effective catalyst with good recyclability and reusability for the direct benzylation of 1,3-dicarbonyl derivatives using alcohols as alkylating agents. Various 1,3-dicarbonyl and alcohols derivatives can participate in the reaction, affording the corresponding monobenzylated products in competitive yields as compared to its counterparts, such as Cp2Zr(OSO17)(2)center dot 3H(2)O center dot THF and the traditional Lewis-acid catalysts. (C) 2015 Elsevier Ltd. All rights reserved.