2-benzhydryl-5,5-dimethylcyclohexane-1,3-dione | 1360433-84-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-benzhydryl-5,5-dimethylcyclohexane-1,3-dione
• CAS: 1360433-84-6
• 化学式: C₂₁H₂₂O₂
• 分子量: 306.404
• InChiKey: RCONRRLRBXIORM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  二苯甲醇 、 5,5-二甲基-1,3-环己二酮 在 silica gel supported sodium hydrogen sulfate 作用下， 以 1,1-二氯乙烷 为溶剂， 反应 3.0h， 以92%的产率得到2-benzhydryl-5,5-dimethylcyclohexane-1,3-dione
  参考文献：
  名称：

  使用NaHSO4 / SiO2由醇和活性亚甲基直接形成碳-碳键

  摘要：

  已经开发了一种简单有效的碳-碳键形成方法，该方法开始于在温和的条件下使用硅胶负载的硫酸钠（NaHSO 4 / SiO 2），从醇类和含活性亚甲基的化合物开始。NaHSO 4 / SiO 2可以重复使用而不会损失至少十倍的催化活性。 碳-碳偶联-硅胶-醇-负载型催化剂

  DOI：

  10.1055/s-0031-1290083

文献信息

• Air-stable μ2-hydroxyl bridged cationic binuclear complexes of zirconocene perfluorooctanesulfonates: their structures, characterization and application
  作者：Xiaohong Zhang、Xinhua Xu、Ningbo Li、Zhiwu Liang、Zilong Tang

  DOI：10.1016/j.tet.2018.02.057

  日期：2018.4

  binuclear structures: (i) [CpZr(OH2)3]2(μ2-OH)2(OSO2C8F17)4·2THF·4H2O (1a·2THF·4H2O), (ii) [n-BuCpZr(OH2)3]2(μ2-OH)2(OSO2C8F17)4·6H2O (2a·6H2O), and (iii) [t-BuCpZr(OH2)3]2(μ2-OH)2(OSO2C8F17)4·2C3H6O·8H2O (3a·2C3H6O·8H2O). The ligands of water and organic molecules in the complexes originated from the moist air and solvent during their recrystallization. These complexes were characterized with different

  通过用（RCp）2 ZrCl 2 [R = H，n -Bu，t -Bu]处理C 8 F 17 SO 3 Ag成功地合成了三种空气稳定的锆茂全氟辛烷磺酸盐。根据X-射线分析，它们具有μ 2 -羟基桥接阳离子双核结构：（我）[CpZr（OH 2）3 ] 2（μ 2 -OH）2（OSO 2 ç 8 ˚F 17）4 ·2THF·4H 2 O（1a ·2THF·4H2 O），（II）[ Ñ -BuCpZr（OH 2）3 ] 2（μ 2 -OH）2（OSO 2 ç 8 ˚F 17）4 ·6H 2 O（图2a ·6H 2 O），和（III） [吨-BuCpZr（OH 2）3 ] 2（μ 2 -OH）2（OSO 2 ç 8 ˚F 17）4 ·2C 3 ħ 6O·8H 2 O（3a ·2C 3 H 6 O·8H 2 O）。复合物中水和有机分子的配体在重结晶过程中源自潮湿的空气和溶剂。这些配合物用不同的技术表
• 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.