β-(3,5-dimethylphenyl)-α-methylpropionic acid | 61227-50-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: β-(3,5-dimethylphenyl)-α-methylpropionic acid
• 英文别名: 2-(3,5-dimethylbenzyl)propionic acid；3-(3,5-dimethylphenyl)-2-methylpropanoic acid；3-(3,5-Dimethylphenyl)-2-methyl-2-propionsaeure
• CAS: 61227-50-7
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: OKEQHPIGYPNWDM-UHFFFAOYSA-N

物化性质

• 沸点：
  313.7±11.0 °C(Predicted)
• 密度：
  1.051±0.06 g/cm3(Predicted)

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

• 作为反应物：
  描述：

  β-(3,5-dimethylphenyl)-α-methylpropionic acid 在 PPA 作用下， 生成 2,5,7-三甲基茚满-1-酮
  参考文献：
  名称：

  取代的丙烯基苯酚的热（E），（Z）异构化†

  摘要：

  取代丙烯基苯的热（E），（Z）-异构化

  DOI：

  10.1002/hlca.19770600625
• 作为产物：
  描述：

  3,5-二甲基溴苄 在 盐酸 、 potassium carbonate 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.0h， 生成 β-(3,5-dimethylphenyl)-α-methylpropionic acid
  参考文献：
  名称：

  Fukuoka, Masamichi; Yoshihira, Kunitoshi; Natori, Shinsaku, Chemical and pharmaceutical bulletin, 1983, vol. 31, # 9, p. 3113 - 3128

  摘要：

  DOI：

文献信息

• Carbonylative Transformation of Allylarenes with CO Surrogates: Tunable Synthesis of 4-Arylbutanoic Acids, 2-Arylbutanoic Acids, and 4-Arylbutanals
  作者：Fu-Peng Wu、Da Li、Jin-Bao Peng、Xiao-Feng Wu

  DOI：10.1021/acs.orglett.9b02047

  日期：2019.7.19

  In this Communication, procedures for the selective synthesis of 4-arylbutanoic acids, 2-arylbutanoic acids, and 4-arylbutanals from the same allylbenzenes have been developed. With formic acid or TFBen as the CO surrogate, reactions proceed selectively and effectively under carbon monoxide gas-free conditions.
• 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.
• MPAI-Ligand Accelerated Pd-Catalyzed C(<i>sp</i>³)–H Arylation of Free Aliphatic Acids
  作者：Zi-Yu Dong、Jia-Hui Zhao、Peng Wang、Jin-Quan Yu

  DOI：10.1021/acs.orglett.2c02933

  日期：2022.10.28