2-[(2-乙基苯氧基)甲基]环氧乙烷 | 15620-78-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-[(2-乙基苯氧基)甲基]环氧乙烷
• 英文名称: (R,S)-1-(2′-ethylphenoxy)-2,3-epoxy-propane
• 英文别名: rac-1,2-epoxy-3-(2-ethylphenoxy)propane；1-(2'-ethylphenoxy)-2,3-epoxypropane；2-[(2-Ethylphenoxy)methyl]oxirane
• CAS: 15620-78-7
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: KSIFCIGYWZLLRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  21.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-甲氧基苄基)乙胺 、 2-[(2-乙基苯氧基)甲基]环氧乙烷 生成 3-<2-Aethyl-phenoxy>-1-<1-(4-methoxy-phenyl)-2-propylamino>-propanol-(2)
  参考文献：
  名称：

  β-肾上腺素能阻断剂。V.1-氨基-3-（取代的苯氧基）-2-丙醇。

  摘要：

  DOI：

  10.1021/jm00304a018
• 作为产物：
  描述：

  乙基苯酚 在 偶氮二甲酸二异丙酯 、 三苯基膦 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 24.0h， 生成 2-[(2-乙基苯氧基)甲基]环氧乙烷
  参考文献：
  名称：

  Synthesis of all of the stereoisomers of β3-adrenoceptor antagonist SR 59230 based on the spontaneous resolution of 3-(2-ethylphenoxy)propane-1,2-diol

  摘要：

  Racemic 3-(2-ethylphenoxy)propane-1,2-diol 2 has been effectively resolved into (S)- and (R)-enantiomers by a preferential crystallization procedure. Non-racemic diols 2, obtained via a Mitsunobu reaction, have been converted into the non-racemic 1,2-epoxy-3-(2-ethylphenoxy)propanes (S)- and (R)-5 and then into non-racemic 3-(2-ethylphenoxy)-1(1,2,3,4-tetrahydronaphth-1-ylamino)-2-propanols 1. The characteristics of all four stereoisomers, (S,S)-1 (SR 59230), (R,R)-1 (SR 59483), (R,S)-1 and (S,R)-1 (SR 59231) and their hydrogen oxalates with a 1:1 composition have been presented. The crystalline oxalates (S,S)-1 center dot C2H2O4 (SR 59230A) and (R,S)-1 center dot 0.5C(2)H(2)O(4) were studied by single crystal X-ray diffraction. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2016.05.001

文献信息

• Studies on Agents with Vasodilator and .BETA.-Blocking Activities. II.
  作者：Toshimi SEKI、Takayuki TAKEZAKI、Rikio OHUCHI、Hiroshi OHUYABU、Yoshitaka TANIMOTO、Takashi YAMAGUCHI、Norinobu SAITOH、Tsutomu ISHIMORI、Kikuo YASUDA

  DOI：10.1248/cpb.43.247

  日期：——

  A series of phenoxypropanolamines having a hydrazinopyridazinyl moiety was synthesized. Their hypotensive and β-blocking activities were evaluated after intravenous administration of the compounds to anethetized rats.Some of them exhibited both activities. In particular, compound 20k is a candidate for clinical use due to its hypotensive activity, equal to that of hydralazine, and its β-blocking activity, 2.7-fold more potent than that of propranolol.

  一系列含有哒嗪基肼结构的苯氧丙醇胺类化合物被合成，并通过静脉注射给麻醉大鼠后评估了它们的降压和β阻断活性。其中一些化合物显示了这两种活性。特别是化合物20k，由于其降压活性与肼达嗪相当，且β阻断活性比普萘洛尔强2.7倍，因此被认为是临床应用的候选药物。
• Exploring the Biocatalytic Scope of a Novel Enantioselective Halohydrin Dehalogenase from an Alphaproteobacterium
  作者：Feng Xue、Xiangju Ya、Yuansong Xiu、Qi Tong、Yuqi Wang、Xinhai Zhu、He Huang

  DOI：10.1007/s10562-019-02659-0

  日期：2019.2

  AbstractA gene encoding halohydrin dehalogenase from an alphaproteobacterium (AbHHDH) was identified, cloned and over-expressed in Escherichia coli. AbHHDH was able to catalyze the stereoselective dehalogenation of prochiral and racemic halohydrins. It showed the highest enantioselectivity in the dehalogenation of 20 mM (R,S)-2-bromo-1-phenylethanol, which yielded (S)-2-bromo-1-phenylethanol with 99%

  摘要 鉴定、克隆并在大肠杆菌中过表达了编码来自α变形杆菌的卤代醇脱卤酶（AbHHDH）的基因。AbHHDH 能够催化前手性和外消旋卤代醇的立体选择性脱卤。它在 20 mM (R,S)-2-bromo-1-苯基乙醇的脱卤反应中表现出最高的对映选择性，生成 (S)-2-bromo-1-苯基乙醇，ee 为 99%，产率为 34.5%。此外，AbHHDH 以低至中等 (S)-对映选择性催化环氧化物的叠氮分解。当 (R,S)-苄基缩水甘油醚用作底物时，观察到最高的对映选择性 (E = 18.6)。由 HHDH 催化的连续动力学拆分用于合成手性 1-氯-3-苯氧基-2-丙醇。我们制备了对映纯 (S)-异构体，ee> 99% 的高对映纯度和 30 的产率。20 mM 底物的动力学分辨率为 7%（E 值：21.3）。从 40 到 150 mM (R,S)-1-chloro-3-phenoxy-2-propanol
• A Smart Library of Epoxide Hydrolase Variants and the Top Hits for Synthesis of (<i>S</i>)-β-Blocker Precursors
  作者：Xu-Dong Kong、Qian Ma、Jiahai Zhou、Bu-Bing Zeng、Jian-He Xu

  DOI：10.1002/anie.201402653

  日期：2014.6.23

  the enzyme active pocket has led to a smart library of epoxide hydrolase variants with an expanded substrate spectrum covering a series of typical β‐blocker precursors. Improved activities of 6‐ to 430‐fold were achieved by redesigning the active site at two predicted hot spots. This study represents a breakthrough in protein engineering of epoxide hydrolases and resulted in enhanced activity toward

  酶活性口袋的微调已形成了环氧水解酶变体的智能库，其底物光谱范围扩大，涵盖了一系列典型的β-受体阻滞剂前体。通过在两个预计的热点上重新设计活动站点，可以将活动提高6到430倍。这项研究代表了环氧化物水解酶蛋白质工程的一项突破，并提高了对庞大底物的活性。
• Polymer electrolyte and method for producing the same
  申请人：——

  公开号：US20010041279A1

  公开（公告）日：2001-11-15

  Provided is a polymer electrolyte containing a block copolymer comprising one or more blocks having sulfonic acid groups and one or more blocks having substantially no sulfonic acid group, and at least one block among all blocks is a block having aromatic rings in the main chain thereof, and a method for producing the same. The polymer electrolyte is suitable for a proton conductive film of a fuel cell due to excellent water resistance and heat resistance, and high proton conductivity.

  提供的是一种聚合物电解质，包含一种嵌段共聚物，其中包括一个或多个具有磺酸基团的块和一个或多个几乎没有磺酸基团的块，而所有块中至少有一个块具有其主链中的芳香环，以及其制备方法。由于具有优异的耐水性、耐热性和高质子传导性，该聚合物电解质适用于燃料电池的质子传导膜。
• GREASE COMPOSITION
  申请人：JX NIPPON OIL & ENERGY CORPORATION

  公开号：US20150133353A1

  公开（公告）日：2015-05-14

  The grease composition of the present invention comprises at least one base oil selected from a mineral oil and a synthetic oil, and based on the total amount of the grease composition, 2 to 35% by mass of a thickener, 0.05 to 5% by mass of an epoxy compound and 0.1 to 20% by mass of an antiwear additive. The grease of the present invention is good in stability, lubricity and friction characteristics and excellent in long-term reliability even under severe use conditions as compared with conventional grease.

  本发明的润滑脂组合物包括至少一种从矿物油和合成油中选择的基础油，并且基于润滑脂组合物的总量，包括2至35%的质量厚化剂，0.05至5%的质量环氧化合物和0.1至20%的质量抗磨添加剂。与传统润滑脂相比，本发明的润滑脂在稳定性、润滑性和摩擦特性方面表现良好，并且在恶劣使用条件下具有卓越的长期可靠性。