β-Ethyl-atropsaeure | 4675-47-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: β-Ethyl-atropsaeure
• 英文别名: 2-phenyl-pent-2-enoic acid；2-Phenyl-pent-2-ensaeure；Phenyl-2-pentenoic acid；2-phenylpent-2-enoic acid
• CAS: 4675-47-2
• 化学式: C₁₁H₁₂O₂
• 分子量: 176.215
• InChiKey: QMMPIAPFEICUFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 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-Ethyl-atropsaeure 在 氢溴酸 作用下， 生成 3-bromo-2-phenyl-valeric acid
  参考文献：
  名称：

  US2679500

  摘要：

  公开号：
• 作为产物：
  描述：

  (RS)-2-phenylpentanoic acid 在 磷化氢 、 溴 作用下， 生成 β-Ethyl-atropsaeure
  参考文献：
  名称：

  Mndshojan et al., Doklady Akademii Nauk Armyanskoi SSR, 1959, vol. 28, p. 11,14

  摘要：

  DOI：

文献信息

• [EN] ALLOSTERIC PROTEIN KINASE MODULATORS<br/>[FR] MODULATEURS DE PROTÉINE KINASE ALLOSTÉRIQUE
  申请人：UNIV SAARLAND

  公开号：WO2010043711A1

  公开（公告）日：2010-04-22

  The invention provides specific small molecule compounds that allosterically regulate the activity or modulate protein-protein interactions of AGC protein kinases and the Aurora family of protein kinases, methods for their production, pharmaceutical compositions comprising same, and their use for preparing medicaments for the treatment and prevention of diseases related to abnormal activities of AGC protein kinases or of protein kinases of the Aurora family.

  该发明提供特定的小分子化合物，这些化合物能够变构调节AGC蛋白激酶的活性或调节Aurora家族蛋白激酶的蛋白-蛋白相互作用，提供这些化合物的制备方法，包含这些化合物的药物组合物，以及它们用于制备治疗和预防与AGC蛋白激酶或Aurora家族蛋白激酶异常活动相关疾病的药物的应用。
• Water-initiated hydrocarboxylation of terminal alkynes with CO₂ and hydrosilane
  作者：Meng-Meng Wang、Sheng-Mei Lu、Kumaraswamy Paridala、Can Li

  DOI：10.1039/d0cc06320g

  日期：——

  This work discloses a Cu(II)–Ni(II) catalyzed tandem hydrocarboxylation of alkynes with polysilylformate formed from CO2 and polymethylhydrosiloxane that affords α,β-unsaturated carboxylic acids with up to 93% yield. Mechanistic studies indicate that polysilylformate functions as a source of CO and polysilanol. Besides, a catalytic amount of water is found to be critical to the reaction, which hydrolyzes

  这项工作公开了铜（II）-镍（II）催化炔烃与由CO 2和聚甲基氢硅氧烷形成的聚甲硅烷基甲酸酯的串联加氢羧化反应，可提供高达93％产率的α，β-不饱和羧酸。机理研究表明，聚甲硅烷基甲酸酯起CO和聚硅烷醇的来源的作用。此外，发现催化量的水对于反应至关重要，该反应将聚甲硅烷基甲酸酯水解为甲酸，从而诱导形成Ni - H活性物质，从而启动了催化循环。
• Access to α,β-unsaturated carboxylic acids through water-soluble palladium catalyzed hydroxycarbonylation of alkynes using water as the solvent
  作者：Jinhe Lv、Lingbo Zong、Jinrong Zhang、Jiaxin Song、Jinyu Zhao、Kai Zhang、Ziqin Zhou、Mingjie Gao、Congxia Xie、Xiaofei Jia、Xinyi Ren

  DOI：10.1039/d1cy00699a

  日期：——

  β-unsaturated carboxylic acids from alkynes with CO and H2O was described. The atom-economic hydroxycarbonylation of various symmetrical and unsymmetrical alkynes can be achieved with chemo-, stereo-, and regioselectivity, affording the corresponding carboxylic acids in good to excellent yields. Using water as the reaction solvent, the water-soluble palladium catalyst was easily separated from the product and

  描述了亚砜磷改性的钯催化从炔烃与 CO 和 H 2 O合成 α,β-不饱和羧酸。各种对称和不对称炔烃的原子经济羟基羰基化可以通过化学选择性、立体选择性和区域选择性实现，从而以良好到优异的产率提供相应的羧酸。以水为反应溶剂，水溶性钯催化剂容易与产物分离，可重复使用5次。
• Synthesis of Vinyl Carboxylic Acids using Carbon Dioxide as a Carbon Source by Iron-Catalyzed Hydromagnesiation
  作者：Rajagopal Santhoshkumar、Ya-Chun Hong、Ching-Zong Luo、Yun-Ching Wu、Chen-Hsun Hung、Kuen-Yuan Hwang、An-Pang Tu、Chien-Hong Cheng

  DOI：10.1002/cctc.201600279

  日期：2016.7.6

  iron‐catalyzed synthesis of α,β‐unsaturated carboxylic acids from alkynes and carbon dioxide was developed. This reaction proceeds through hydromagnesiation of alkynes followed by carbon dioxide insertion under atmospheric pressure and ambient temperature in the presence of iron and a Grignard reagent as a catalyst and hydride source, respectively. Several symmetrical and unsymmetrical alkynes were transformed

  开发了由炔烃和二氧化碳铁催化的α，β-不饱和羧酸的合成方法。该反应通过炔烃的加氢放大进行，然后在大气压和环境温度下分别在铁和格氏试剂作为催化剂和氢化物源的存在下插入二氧化碳。几种对称和不对称炔烃以良好或优异的收率转化为相应的酸。该方法提供了合成乙烯基羧酸的有效途径。
• Liquid phase catalytic co-oxidation of unsaturated compounds and aldehydes or ketones
  申请人：MITSUI PETROCHEMICAL INDUSTRIES, LTD.

  公开号：EP0021118A1

  公开（公告）日：1981-01-07

  (i) Unsaturated compounds having at least 4 carbon atoms, including unsaturated alicyclic compounds having at least 4 carbon atoms, unsaturated aliphatic compounds having at least one carbon-carbon unsaturated bond and having at least 4 carbon atoms and unsaturated aromatic compounds having at least one carbon-carbon unsaturated bond in the branched chain thereof and (ii) aldehydes or ketones having at least 4 carbon atoms are catalytically co-oxidized with an oxygen-containing gas in a liquid phase to form a cleaveged product or products of unsaturated bond of the unsaturated compounds at a high yield. This co-oxidation reaction is carried out in the presence of a heavy metal containing iron, cobalt, nickel, ruthenium, rhodium, palladium, osmium, iridium, platinum, copper, solver, chromium, molybdenum, tungsten, manganese and rhenium and the compounds thereof.

  (i) 具有至少 4 个碳原子的不饱和化合物，包括具有至少 4 个碳原子的不饱和脂环族化合物、(ii) 具有至少 4 个碳原子的醛或酮在液相中与含氧气体发生催化共氧化反应，以高产率形成不饱和化合物的一种或多种不饱和键裂解产物。这种共氧化反应是在含铁、钴、镍、钌、铑、钯、锇、铱、铂、铜、溶胶、铬、钼、钨、锰和铼的重金属及其化合物存在下进行的。