2-(2,6-dimethylbenzyl)propionic acid | 849417-74-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-(2,6-dimethylbenzyl)propionic acid
• 英文别名: I+/-,2,6-Trimethylbenzenepropanoic acid；3-(2,6-dimethylphenyl)-2-methylpropanoic acid
• CAS: 849417-74-9
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: RSGKCYQLBRBYNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 间二甲苯 、 甲基丙二酸二乙酯 生成 2-(2,4-dimethylbenzyl)propionic acid 、 2-(2,6-dimethylbenzyl)propionic acid
  参考文献：
  名称：

  Synthesis and molecular structures of zirconium and hafnium complexes bearing dimethylsilandiyl-bis-2,4,6-trimethylindenyl and dimethylsilandiyl-bis-2-methyl-4,6-diisopropylindenyl ligands

  摘要：

  Zirconium and hafnium ansa-complexes containing 2,4,6-trialkyl-substituted indenyl fragments were synthesized and unambiguously characterized. Mixtures of rac- and meso-Me2Si(2-Me-4,6-R2C9H3-eta(5))(2)MCl2, where R = Me, i-Pr and M = Zr, Hf, were obtained by a treatment of MCl4 by dilithium salts of the respective bis(2,4,6-trialkylindenyl)dimethylsilanes in toluene. Alternatively, better yields of the same complexes can be obtained by the reaction between metal tetrachlorides and indenyl-tin derivatives gave the desired ansa-metallocenes. All rac- and meso-complexes of Zr and Hf were isolated in an analytically pure form, and six of these ansa-metallocenes were characterized by X-ray crystal structure analysis. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.10.052

文献信息

• Synthesis and molecular structures of zirconium and hafnium complexes bearing dimethylsilandiyl-bis-2,4,6-trimethylindenyl and dimethylsilandiyl-bis-2-methyl-4,6-diisopropylindenyl ligands
  作者：Vyacheslav V. Izmer、Denis A. Sorokin、Lyudmila G. Kuz’mina、Andrei V. Churakov、Judith A.K. Howard、Alexander Z. Voskoboynikov

  DOI：10.1016/j.jorganchem.2004.10.052

  日期：2005.2

  Zirconium and hafnium ansa-complexes containing 2,4,6-trialkyl-substituted indenyl fragments were synthesized and unambiguously characterized. Mixtures of rac- and meso-Me2Si(2-Me-4,6-R2C9H3-eta(5))(2)MCl2, where R = Me, i-Pr and M = Zr, Hf, were obtained by a treatment of MCl4 by dilithium salts of the respective bis(2,4,6-trialkylindenyl)dimethylsilanes in toluene. Alternatively, better yields of the same complexes can be obtained by the reaction between metal tetrachlorides and indenyl-tin derivatives gave the desired ansa-metallocenes. All rac- and meso-complexes of Zr and Hf were isolated in an analytically pure form, and six of these ansa-metallocenes were characterized by X-ray crystal structure analysis. (C) 2004 Elsevier B.V. All rights reserved.