(S)-4-硝基苯基-2-丙酸 | 142927-08-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: (S)-4-硝基苯基-2-丙酸
• 英文名称: (S)-(+)-2-(4'-nitrophenyl)propanoic acid
• 英文别名: (S)-2-(4-nitrophenyl)propanoic acid；2-(4-nitrophenyl)propionic acid；(S)-2-(4-nitro-phenyl)-propionic acid；(S)-2-(4-Nitro-phenyl)-propionsaeure；D-2-(4-Nitro-phenyl)-propionsaeure；(2R)-2-(4-nitrophenyl)propanoic acid；(2S)-2-(4-nitrophenyl)propanoic acid
• CAS: 142927-08-0
• 化学式: C₉H₉NO₄
• 分子量: 195.175
• InChiKey: RBSRRICSXWXMRC-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-4-硝基苯基-2-丙酸 在 甲醇 、 乙醚 、 铂 作用下， 生成 (2S)-2-(4-aminophenyl)propanoate
  参考文献：
  名称：

  A separation method for DNA computing based on concentration control

  摘要：

  A separation method for DNA computing based on concentration control is presented. The concentration control method was earlier developed and has enabled us to use DNA concentrations as input data and as filters to extract target DNA. We have also applied the method to the shortest path problems, and have shown the potential of concentration control to solve large-scale combinatorial optimization problems. However, it is still quite difficult to separate different DNA with the same length and to quantify individual DNA concentrations. To overcome these difficulties, we use DGGE and CDGE in this paper. We demonstrate that the proposed method enables us to separate different DNA with the same length efficiently, and we actually solve an instance of the shortest path problems.

  DOI：

  10.1007/bf03037359
• 作为产物：
  描述：

  (2R)-2-(4-nitrophenyl)propanoic acid, S(-)-α-methylbenzylamine 在 盐酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.75h， 以100%的产率得到(S)-4-硝基苯基-2-丙酸
  参考文献：
  名称：

  Sulfonamide derivatives

  摘要：

  本发明涉及一种式(Ia)的化合物或其药用可接受的盐，用于治疗与谷氨酸功能不足相关的疾病，如精神疾病和神经系统疾病。

  公开号：

  US20030233015A1

文献信息

• Palladium‐Catalyzed Asymmetric Markovnikov Hydroxycarbonylation and Hydroalkoxycarbonylation of Vinyl Arenes: Synthesis of 2‐Arylpropanoic Acids
  作者：Ya‐Hong Yao、Xian‐Jin Zou、Yuan Wang、Hui‐Yi Yang、Zhi‐Hui Ren、Zheng‐Hui Guan

  DOI：10.1002/anie.202107856

  日期：2021.10.18

  of carboxylic acids. Herein, we reported the development of a palladium-catalyzed highly enantioselective Markovnikov hydroxycarbonylation of vinyl arenes with CO and water. A monodentate phosphoramidite ligand L6 plays vital role in the reaction. The reaction tolerates a range of functional groups, and provides a facile and atom-economical approach to an array of 2-arylpropanoic acids including several

  不对称羟基羰基化是合成羧酸的最基本但最具挑战性的方法之一。在此，我们报道了钯催化的乙烯基芳烃与 CO 和水的高度对映选择性马尔可夫尼科夫羟基羰基化的发展。单齿亚磷酰胺配体L6反应中起重要作用。该反应耐受一系列官能团，并为一系列 2-芳基丙酸（包括几种常用的非甾体抗炎药）提供了一种简便且原子经济的方法。该催化体系还使乙烯基芳烃与醇发生不对称马尔科夫尼科夫氢烷氧基羰基化反应，得到 2-芳基丙酸酯。机理研究表明，氢化钯是不可逆的，是区域和对映体决定步骤，而水解/醇解可能是限速步骤。
• Enantioselective hydrolysis of various racemic α-substituted arylacetonitriles using Rhodococcus sp. CGMCC 0497
  作者：Zhong-Liu Wu、Zu-Yi Li

  DOI：10.1016/s0957-4166(02)00017-4

  日期：2001.12

  The enantioselective hydrolysis of 17 racemic α-substituted arylacetonitriles by Rhodococcus sp. CGMCC 0497 is described. The corresponding (R)-amides and (S)-acids were obtained with excellent enantiomeric excess in most cases. The effect of steric and electronic factors on the outcome of the reactions are discussed here. The results prove that nitrile-converting enzymes are efficient tools for the

  Rhodococcus sp。对映体选择性水解17种外消旋的α-取代的芳基乙腈。描述了CGMCC 0497。在大多数情况下，以优异的对映体过量获得相应的（R）-酰胺和（S）-酸。此处讨论了空间和电子因素对反应结果的影响。结果证明腈转化酶是用于合成空间上不受阻碍的手性α-芳基丙酸和酰胺的有效工具。
• 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them
  申请人：Dompe' S.P.A.

  公开号：EP2166006A1

  公开（公告）日：2010-03-24

  The present invention relates to (R,S) 2-aryl-propionic acids and derivatives, their single enantiomer (S) and to pharmaceutical compositions containing them, which are used in the prevention and treatment of tissue damage due to the exacerbated recruitment of polymorphonucleated neutrophils (PMN leukocytes) at inflammation sites. The present invention provides compounds for use in the treatment of transient cerebral ischemia, bullous pcmphigo, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and damages caused by ischemia and reperfusion.

  本发明涉及(R,S) 2-芳基丙酸及其衍生物，它们的单对映体(S)，以及含有它们的药物组合物，用于预防和治疗由于在炎症部位过度招募多形核中性粒细胞（PMN白细胞）而导致的组织损伤。 本发明提供了用于治疗短暂性脑缺血、水疱性天疱疮、类风湿关节炎、特发性纤维化、肾小球肾炎以及缺血再灌注引起的损伤的化合物。
• High-performance liquid chromatography separation of enantiomers of mandelic acid and its analogs on a chiral stationary phase
  作者：Ritu Aneja、Pratibha Mehta Luthra、Satinder Ahuja

  DOI：10.1002/chir.20767

  日期：——

  acid and its analogs have been chromatographically separated on a chiral stationary phase (CSP) derived from 4‐(3,5‐dinitrobenzamido) tetrahydrophenanthrene. The rationale of separations of these compounds is discussed with respect to the method development for determining enantiomeric purity and possibility of obtaining enantiomerically pure materials by high‐pressure liquid chromatography. The relationship

  扁桃酸及其类似物的对映异构体已在手性固定相（CSP）上进行色谱分离，手性固定相衍生自4-（3,5-二硝基苯甲酰胺基）四氢菲。关于确定对映体纯度的方法发展以及通过高压液相色谱法获得对映体纯物质的可能性，讨论了分离这些化合物的原理。已经检查了分析物结构与对映异构体分离程度的关系，并给出了各组结构相关化合物的分离因子（α）。已经提出手性识别模型可以解释观察到的分离。这些模型为手性识别过程提供了机械的见解。手性2010。©2009 Wiley‐Liss，Inc.。
• Immunoregulatory compounds and derivatives and methods of treating diseases therewith
  申请人：——

  公开号：US20020049186A1

  公开（公告）日：2002-04-25

  Compounds are disclosed having the structure of Formula I: 1 where R 1 , R 3 , and R 4 are independently hydrogen or C 1 to C 4 alkyl, and R 2 is: 2 where R 5 is selected from the group consisting of hydrogen and C 1 to C 4 alkyl, or 3 where R 6 , R 7 and R 8 are independently hydrogen or C 1 to C 4 alkyl; or the esters or pharmacologically acceptable salts thereof. Such compounds may be utilized for the prophylaxis or treatment of various diseases, particularly inflammatory conditions of the GI tract. Methods of treating inflammatory conditions of the GI tract such as inflammatory bowel disease using compounds having the following formula are also disclosed: 4 where R 9 , R 10 and R 11 are independently selected from the group consisting of hydrogen and C 1 to C 4 alkyl, and R 12 is selected from the group consisting of hydrogen and —C(O)R 13 , where R 13 is a C 1 to C 6 alkyl or an aryl group.

  披露了具有Formula I结构的化合物：其中R1、R3和R4独立地是氢或C1到C4烷基，而R2是：其中R5选择自羟基和C1到C4烷基的群体，或者R6、R7和R8独立地是氢或C1到C4烷基；或其酯或药理学上可接受的盐。这些化合物可用于预防或治疗各种疾病，特别是胃肠道的炎症症状。还披露了使用具有以下公式的化合物治疗胃肠道炎症症状的方法：其中R9、R10和R11独立地选择自羟基和C1到C4烷基的群体，而R12选择自羟基和—C(O)R13的群体，其中R13是C1到C6烷基或芳基。