2-(4-羟苯氧基)-2-甲基丙酸 | 67648-64-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(4-羟苯氧基)-2-甲基丙酸
• 英文名称: 2-(4-Hydroxyphenoxy)-2-methyl-propionic acid
• 英文别名: α-(4-hydroxy-phenoxy)-isobutyric acid；α-(4-Hydroxy-phenoxy)-isobuttersaeure；2-(4-Hydroxyphenoxy)-2-methylpropanoic acid
• CAS: 67648-64-0
• 化学式: C₁₀H₁₂O₄
• mdl: MFCD11035903
• 分子量: 196.203
• InChiKey: AMCMPYSRJBOXBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-羟苯氧基)-2-甲基丙酸 在 5% Pd/C 、 臭氧 作用下， 以 水 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 生成
  参考文献：
  名称：

  FeOOH and derived phases: Efficient heterogeneous catalysts for clofibric acid degradation by advanced oxidation processes (AOPs)

  摘要：

  In this study the degradation of an aqueous solution of clofibric acid was investigated during catalytic ozonation and Fenton-like process with FeOOH - derived catalysts. From the different calcination temperatures tested, it has been observed that the most active catalyst is the commercial FeOOH calcined at 200 degrees C, when maghemite and hematite are the predominant phases obtained. The best result, at room temperature, for CFA mineralization was observed over 0.5 wt% Pd on FeOOH (calcined at 200 degrees C) among all tested catalysts, achieving 68% and 81% mineralization degree, in 2 h and 6 h, respectively, in catalytic ozonation and 66% and 71% of mineralization degree within 2 h and 6 h, respectively for Fenton process. The efficiency of the Fenton-like process is enhanced at higher temperature (40-60 degrees C), reaching a mineralization degree up to 82% in 6 h. Furthermore, Pd impregnation on FeOOH increased the catalyst stability. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cattod.2014.03.050
• 作为产物：
  描述：

  氯贝酸 在 5% Pd/C 、 臭氧 作用下， 以 水 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 生成 2-(4-羟苯氧基)-2-甲基丙酸
  参考文献：
  名称：

  FeOOH and derived phases: Efficient heterogeneous catalysts for clofibric acid degradation by advanced oxidation processes (AOPs)

  摘要：

  In this study the degradation of an aqueous solution of clofibric acid was investigated during catalytic ozonation and Fenton-like process with FeOOH - derived catalysts. From the different calcination temperatures tested, it has been observed that the most active catalyst is the commercial FeOOH calcined at 200 degrees C, when maghemite and hematite are the predominant phases obtained. The best result, at room temperature, for CFA mineralization was observed over 0.5 wt% Pd on FeOOH (calcined at 200 degrees C) among all tested catalysts, achieving 68% and 81% mineralization degree, in 2 h and 6 h, respectively, in catalytic ozonation and 66% and 71% of mineralization degree within 2 h and 6 h, respectively for Fenton process. The efficiency of the Fenton-like process is enhanced at higher temperature (40-60 degrees C), reaching a mineralization degree up to 82% in 6 h. Furthermore, Pd impregnation on FeOOH increased the catalyst stability. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cattod.2014.03.050

文献信息

• Zur Pharmakokinetik von Lipidsenkern, 5. Mitt. Ist 2-(4-Hydroxyphenoxy)-2-methyl-propionsäure ein Metabolit des Lipidsenkers Ciprofibrat?
  作者：Herbert Oelschläger、Dietrich Rothley、Karl-Heinz Hellwich、Wolfgang Schmidt

  DOI：10.1002/ardp.19893220603

  日期：——

  Nach oraler Gabe von Ciprofibrat (1) an Probanden (n = 5) findet sich im frisch gelassenen Harn nur dessen Glukuronid, kein 1 und nicht die 2‐(4‐Hydroxyphenoxy)‐2‐methyl‐propionsäure (3), deren Bildung aus 1 auch biochemisch nicht interpretierbar wäre. Somit muß das von anderen Autoren berichtete Auftreten von 3 im Harn von Probanden korrigiert werden.

  给受试人（n=5）口服环丙贝特（1）后，在新鲜尿液中仅发现其葡萄糖醛酸苷，没有1而不是2-（4-羟基苯氧基）-2-甲基-丙酸（3） ，它们的形成 1 也无法通过生化解释。因此，必须纠正其他作者报告的受试者尿液中出现 3 的情况。
• [EN] ENZYMES AND THEIR USE
  申请人：RHONE-POULENC INC.

  公开号：WO1990015146A1

  公开（公告）日：1990-12-13

  (EN) A lipase or lipase isozyme from $i(Candida rugosa) is used to stereoselectively hydrolyze esters, esterify acids or transesterify esters in aqueous/organic systems. Esters of 2-substituted acids such as 2-(4-hydroxyphenoxy) propionic acid, where the acid is not substituted at the 2-position with halogen, are hydrolyzed at high enantiomeric excess in the presence of an organic solvent. A reducing agent may be present to prevent oxidation of the acid and its esters. Two lipase isozymes are purified from $i(Candida rugosa) by ion exchange chromatography or isoelectric focusing, and are used for stereoselective hydrolysis of esters, esterification of acids or transesterification of esters. The lipase or lipase isozyme may be immobilized, and immobilization is improved by the presence of polyvinyl alcohol or an organic acid such as stearic acid. The presence of a fatty acid or fatty acid ester during lipase reaction increases the rate or stereoselectivity of the reaction.(FR) Une lipase ou une isozyme de lipase venant de $i(Candida rugosa) est utilisée pour hydrolyser stéréosélectivement des esters, estérifier des acides ou transestérifier des esters dans des systèmes aqueux/organiques. Des esters d'acides substitués en position 2 tels que l'acide 2-(4-hydroxyphénoxy) propionique, où l'acide n'est pas substitué dans la position 2 avec l'halogène, sont hydrolysés à un excès énantiomère élevé en présence d'un solvant organique. Un agent réducteur peut être présent pour empêcher l'oxydation de l'acide et de ses esters. Deux isozymes de lipases sont purifiées à partir de $i(Candida rugosa) par chromatographie par échange d'ion ou focalisation isoélectrique, et sont utilisés pour l'hydrolyse stéréosélective d'esters, l'estérification d'acides ou la transestérification d'esters. La lipase ou lisozyme de lipase peut être immobilisée, et l'immobilisation est améliorée par la présence d'alcools polyvinyliques ou d'un acide organique tel que l'acide stéarique. La présence d'un acide gras ou d'un ester d'acide gras pendant la réaction de la lipase augmente le taux ou stéréosélectivité de la réaction.

  一种来自$ i(Candida rugosa) $的脂肪酶或脂肪酶同工酶被用于在水/有机系统中立体选择性地水解酯，酯化酸或酯交换酯。在有机溶剂存在下，2-取代酸的酯，例如2-(4-羟基苯氧基)丙酸酯，在高对映体过量下水解。还可以添加还原剂以防止酸及其酯氧化。通过离子交换色谱或等电聚焦法从$ i(Candida rugosa) $中纯化出两种脂肪酶同工酶，用于立体选择性水解酯，酯化酸或酯交换酯。脂肪酶或脂肪酶同工酶可以固定化，并且存在聚乙烯醇或有机酸，例如硬脂酸，可以提高固定化效果。脂肪酸或脂肪酸酯在脂肪酶反应过程中的存在增加了反应速率或立体选择性。
• Lipase and isozymes, notably of Candida rugosa, and their use
  申请人：RHONE-POULENC INC.

  公开号：EP0407033A2

  公开（公告）日：1991-01-09

  Process for stereoselectively hydrolyzing esters or esterifying acids with lipase preparations of Candida rugosa in aqueous/organic systems, where the acid is not substituted at the 2-position with a halogen, e.g. process for the production of R-2-(4-hydroxyphenoxy)propionic acid at high en tiomeric excess. Additionally disclosed is a process for separating and purifying the isozymes from the lipase of Candida rugosa and their use for the stereoselective hydrolysis of esters, transesterification of esters and esterification of acids.

  在水溶液/有机体系中用皱褶念珠菌的脂肪酶制剂立体选择性水解酯或酯化酸的工艺，其中酸的 2 位未被卤素取代，例如以高对映过量生产 R-2-(4-羟基苯氧基)丙酸的工艺。此外，还公开了一种从白色念珠菌脂肪酶中分离和纯化同工酶的工艺，以及将其用于酯的立体选择性水解、酯的酯化和酸的酯化的工艺。
• OELSCHLAGER, HERBERT;ROTHLEY, DIETRICH;HELLWICH, KARL-HEINZ;SCHMIDT, WOLF+, ARCH. PHARM., 322,(1989) N, C. 337-342
  作者：OELSCHLAGER, HERBERT、ROTHLEY, DIETRICH、HELLWICH, KARL-HEINZ、SCHMIDT, WOLF+

  DOI：——

  日期：——
• 357. Properties and reactions of free alkyl radicals in solution. Part I. Some reactions of 2-cyano- and 2-carbomethoxy-2-propyl radicals with quinones
  作者：A. F. Bickel、W. A. Waters

  DOI：10.1039/jr9500001764

  日期：——