rac-3-(4-acetylphenyl)-2-methylpropanoic acid | 38121-58-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: rac-3-(4-acetylphenyl)-2-methylpropanoic acid
• 英文别名: 3-(4-acetylphenyl)-2-methylpropanoic acid；3-(4-acetyl-phenyl)-2-methyl-propionic acid；3-(4-Acetyl-phenyl)-2-methyl-propionsaeure
• CAS: 38121-58-3
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: AKQUMDSKAOMFAD-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：
  0.33
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  rac-3-(4-acetylphenyl)-2-methylpropanoic acid 、 benzylchlorotriphenylphosphorane 、 正丁基锂 生成 2-methyl-3-[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]propanoic acid
  参考文献：
  名称：

  XAMADA, SANEHAKI

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 rac-3-(4-acetylphenyl)-2-methylpropanoic acid
  参考文献：
  名称：

  Synthese von p-Acetylphenyl-fetts�uren, p-[(?)-Oxy�thylphenyl]-fetts�uren, der p-Methylatrolactins�ure und des Dehydrochols�ureamids des p-Aminoacetophenons

  摘要：

  DOI：

  10.1007/bf00900429

文献信息

• Enantioselective Enzymatic Reduction of Acrylic Acids
  作者：Chihui An、Megan H. Shaw、Annika Tharp、Deeptak Verma、Hongming Li、Heather Wang、Xiao Wang

  DOI：10.1021/acs.orglett.0c02959

  日期：2020.11.6

  identified, and optimization studies led to the development of an enzymatic protocol for the reduction of α,β-unsaturated acids under mild, aqueous conditions. The substrate scope includes aromatic- and aliphatic-substituted acrylic acids, as well as cyclic α,β-substituted acrylic acids, yielding chiral α-substituted acids with exquisite levels of enantioselectivity (>99% ee).

  鉴定了具有广泛底物特异性的烯还原酶 (ERED 36)，优化研究导致开发了一种酶促方案，用于在温和的水性条件下还原 α,β-不饱和酸。底物范围包括芳香族和脂肪族取代的丙烯酸，以及环状 α,β-取代的丙烯酸，产生具有极佳对映选择性 (>99% ee) 的手性 α-取代酸。
• 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.
• XAMADA, SANEHAKI
  作者：XAMADA, SANEHAKI

  DOI：——

  日期：——
• 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
• COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES
  申请人：Miao Zhenwei

  公开号：US20110124880A1

  公开（公告）日：2011-05-26

  Disclosed herein are non-natural amino acids and polypeptides that include at least one non-natural amino acid, and methods for making such non-natural amino acids and polypeptides. The non-natural amino acids, by themselves or as a part of a polypeptide, can include a wide range of possible functionalities, but typical have at least one oxime, carbonyl, dicarbonyl, and/or hydroxylamine group. Also disclosed herein are non-natural amino acid polypeptides that are further modified post-translationally, methods for effecting such modifications, and methods for purifying such polypeptides. Typically, the modified non-natural amino acid polypeptides include at least one oxime, carbonyl, dicarbonyl, and/or hydroxylamine group. Further disclosed are methods for using such non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, including therapeutic, diagnostic, and other biotechnology uses.