3-溴丙酸苯酯 | 27850-43-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 3-溴丙酸苯酯
• 英文名称: 3-bromopropionic acid phenyl ester
• 英文别名: phenyl 3-bromopropionate；Phenyl-β-brom-propionat；Phenyl 3-bromopropanoate
• CAS: 27850-43-7
• 化学式: C₉H₉BrO₂
• 分子量: 229.073
• InChiKey: RCQKVJMMPSBLOL-UHFFFAOYSA-N

物化性质

• 沸点：
  286.3±23.0 °C(Predicted)
• 密度：
  1.461±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-溴丙酸苯酯 在 3,4-二硝基苯酚钠 作用下， 以 四氢呋喃 为溶剂， 生成 丙烯酸苯酯
  参考文献：
  名称：

  Dehydrobromination of some substituted phenyl 3-bromopropionates and phenyl 3-bromothiolopropionates. Transmission of activation effects through acyl bonds

  摘要：

  DOI：

  10.1021/jo00164a017
• 作为产物：
  描述：

  3-溴丙酸 、 苯酚 在 三氟乙酸酐 作用下， 反应 12.0h， 以74%的产率得到3-溴丙酸苯酯
  参考文献：
  名称：

  氯胺酮酯和酰胺作为短效麻醉剂：侧链的结构-活性关系。

  摘要：

  非阿片类氯胺酮的N-脂族酯类似物（1）保留了有效的麻醉/镇痛特性，同时最大程度地降低了氯胺酮的拟精神病副作用。我们表明，这些酯类似物的麻醉/镇痛特性主要取决于脂肪族连接链的长度（2至4个碳），极性和空间截面。较稳定的酰胺和乙砜类似物通常显示较弱的麻醉/镇痛活性。化合物的麻醉/镇痛特性与其对N-甲基-d-天冬氨酸（NMDA）受体的结合亲和力之间没有相关性。

  DOI：

  10.1016/j.bmc.2019.02.010

文献信息

• DYE CONJUGATES AND METHODS OF USE
  申请人：Dehghani Ali

  公开号：US20100291706A1

  公开（公告）日：2010-11-18

  The present invention relates to cyanine compounds, compositions comprising them, articles of manufacture, and methods of making and using them. The cyanines usefully comprise one or more carboxyl groups or derivatives thereof that are indirectly attached to an aryl ring on an alkylaryl cyanine substituent. Also provided are conjugates of the disclosed cyanines and one or more other substances. Solvates, solutions, and derivatized forms of the cyanines are also provided. The cyanines find use in a variety of bioassays, both in direct single-label applications and in energy transfer formats. Methods utilizing the disclosed cyanines for analyzing a sample for a target are provided. Also disclosed are detection complexes comprising the disclosed cyanines, as well as compositions and articles comprising the cyanines in an excited state, for example formed by direct excitation or by energy transfer. The cyanines may be used as alternatives to other known optically active species in a variety of settings. Other embodiments are described further herein.

  本发明涉及青色素化合物、包含它们的组合物、制造品以及它们的制造和使用方法。有用的青色素包含一个或多个羧基或其衍生物，这些羧基或其衍生物间接连接到烷基芳基青色素取代基上的芳环上。还提供了所披露的青色素与一个或多个其他物质的结合物。还提供了青色素的溶剂化物、溶液和衍生化形式。青色素在多种生物检测中找到了用途，既适用于直接单标记应用，也适用于能量转移格式。提供了利用所披露的青色素分析样品中目标物的方法。还披露了包含所披露青色素的检测复合物，以及包含处于激发态的青色素的组成和物品，例如通过直接激发或能量转移形成的。青色素可以用作各种场合中其他已知光活性物种的替代品。其他实施方式在本发明中进一步描述。
• Chiral Phosphine Lewis Bases Catalyzed Asymmetric aza-Baylis−Hillman Reaction of N-Sulfonated Imines with Activated Olefins
  作者：Min Shi、Lian-Hui Chen、Chao-Qun Li

  DOI：10.1021/ja0447255

  日期：2005.3.1

  In the aza-Baylis-Hillman reaction of N-sulfonated imines (N-arylmethylidene-4-methylbenzenesulfonamides and others) with methyl vinyl ketone, ethyl vinyl ketone, and acrolein, we found that, in the presence of a catalytic amount of chiral phosphine Lewis base such as (R)-2'-diphenylphosphanyl-[1,1']binaphthalenyl-2-ol LB1 (10 mol %) and molecular sieve 4A, the corresponding aza-Baylis-Hillman adducts

  在 N-磺化亚胺（N-芳基亚甲基-4-甲基苯磺酰胺等）与甲基乙烯基酮、乙基乙烯基酮和丙烯醛的 aza-Baylis-Hillman 反应中，我们发现，在催化量的手性膦存在下路易斯碱如 (R)-2'-二苯基膦酰基-[1,1']联萘-2-醇 LB1 (10 mol%) 和分子筛 4A，相应的 aza-Baylis-Hillman 加合物可以以良好的收率获得分别在低温（约 -30 至 -20 摄氏度）或室温下在 THF 中从良好到高 ee（70-95% ee）。在 CH2Cl2 中，在 40 摄氏度加热后，N-磺化亚胺与丙烯酸苯酯或萘基丙烯酸酯的 aza-Baylis-Hillman 反应以良好至高产率 (60-97%) 得到具有中等 ee (52-77%) . 通过 31P 和 1H NMR 光谱测量研究了机械洞察力。已通过分子内氢键稳定的关键烯醇中间体已通过 31P 和 1H NMR 光谱观
• Method for continuous detection of an analyte, trifunctional detecting reagent used and detecting device
  申请人：Volland Herve

  公开号：US20060160086A1

  公开（公告）日：2006-07-20

  The invention concerns a method for heterogeneous phase detection of an analyte, the trifunctional reagent used for implementing said method, its use for detecting an analyte, as well as the device for detecting a corresponding analyte

  这项发明涉及一种用于异质相检测分析物的方法，用于实施该方法的三功能试剂，其用于检测分析物的用途，以及用于检测相应分析物的设备
• Ultra-short-acting .beta.-adrenergic receptor blocking agents. 1. (Aryloxy)propanolamines containing esters in the nitrogen substituent
  作者：Paul W. Erhardt、Chi M. Woo、Richard J. Gorczynski、William G. Anderson

  DOI：10.1021/jm00354a002

  日期：1982.12

  In an attempt to produce short-acting beta-adrenergic receptor blocking agents, we prepared several (aryloxy)propanolamines with ester functions incorporated into the nitrogen substituent. Many of these compounds exhibited a short duration of blocking activity after their continuous intravenous infusion for 40 min. However, their durations were found to increase considerably upon longer intravenous

  为了产生短效的β-肾上腺素受体阻断剂，我们制备了几种具有酯官能团的（芳氧基）丙醇胺并入氮取代基。这些化合物中的许多在连续静脉输注40分钟后显示出很短的阻断活性。然而，发现它们的持续时间随着更长的静脉内输注而显着增加。
• Dye conjugates and methods of use
  申请人：Millipore Corporation

  公开号：EP2251380A2

  公开（公告）日：2010-11-17

  The present invention relates to cyanine compounds, compositions comprising them, articles of manufacture, and methods of making and using them. The cyanines usefully comprise one or more carboxyl groups or derivatives thereof that are indirectly attached to an aryl ring on an alkylaryl cyanine substituent. Also provided are conjugates of the disclosed cyanines and one or more other substances. Solvates, solutions, and derivatized forms of the cyanines are also provided. The cyanines find use in a variety of bioassays, both in direct single-label applications and in energy transfer formats. Methods utilizing the disclosed cyanines for analyzing a sample for a target are provided. Also disclosed are detection complexes comprising the disclosed cyanines, as well as compositions and articles comprising the cyanines in an excited state, for example formed by direct excitation or by energy transfer. The cyanines may be used as alternatives to other known optically active species in a variety of settings. Other embodiments are described further herein.

  本发明涉及氰基化合物、包含氰基化合物的组合物、制造品以及制造和使用氰基化合物的方法。氰基化合物包括一个或多个羧基或其衍生物，这些羧基或衍生物间接连接到烷芳基氰基取代基上的芳基环上。此外，还提供了所公开的氰基化合物与一种或多种其他物质的共轭物。此外，还提供了氰化物的溶解物、溶液和衍生形式。这些氰化物可用于各种生物检测，包括直接单标记应用和能量转移形式。还提供了利用所公开的氰化物分析目标样本的方法。此外，还公开了包含所公开的三聚氰酸酯的检测复合物，以及包含激发态三聚氰酸酯的组合物和物品，例如通过直接激发或能量转移形成的激发态三聚氰酸酯。在各种情况下，这些氰化物可用作其他已知光学活性物质的替代品。本文将进一步描述其它实施方案。