3-Hydroxy-3-(2-pyridyl)-propionsaeure-ethylester | 91012-91-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 3-Hydroxy-3-(2-pyridyl)-propionsaeure-ethylester
• 英文别名: ethyl 3-hydroxy-3-(pyridin-2-yl)-propionate；ethyl 3-hydroxy-3-(2-pyridinyl)propanoate；3-hydroxy-3-pyridin-2-yl-propionic acid ethyl ester；3-hydroxy-3-[2]pyridyl-propionic acid ethyl ester；3-Hydroxy-3-[2]pyridyl-propionsaeure-aethylester；Ethyl 3-hydroxy-3-(2-pyridyl) propionate；ethyl 3-hydroxy-3-pyridin-2-ylpropanoate；Ethyl 3-Hydroxy-3-(2-pyridyl)propanoate
• CAS: 91012-91-8
• 化学式: C₁₀H₁₃NO₃
• 分子量: 195.218
• InChiKey: KDVFOKHBLKKTJY-UHFFFAOYSA-N

物化性质

• 沸点：
  89-90 °C(Press: 0.1 Torr)
• 密度：
  1.170±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Hydroxy-3-(2-pyridyl)-propionsaeure-ethylester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 1-(2-pyridine)propane-1,3-diol
  参考文献：
  名称：

  A prodrug approach towards the development of tricyclic-based FBPase inhibitors

  摘要：

  For the purpose of reducing the strong CYP3A4 inhibitory potency of diamide prodrug 4, cyclic prodrugs of tricyclic-based FBPase inhibitors were synthesized. Extensive SAR studies led to the discovery of pyridine-containing cyclic prodrug 20, which strongly inhibited glucose production in monkey hepatocytes and also showed weak CYP3A4 inhibitory potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.017
• 作为产物：
  描述：

  皮考林乙酸乙酯 在 溶剂黄146 、 锌 作用下， 生成 3-Hydroxy-3-(2-pyridyl)-propionsaeure-ethylester
  参考文献：
  名称：

  Ochiai; Tsuda; Ikuma, Chemische Berichte, 1935, vol. 68, p. 1552

  摘要：

  DOI：

文献信息

• Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives
  申请人：——

  公开号：US20030225274A1

  公开（公告）日：2003-12-04

  The present invention relates to a process for preparing stereoisomerically enriched 3-heteroaryl-3-hydroxycarboxylic esters by reducing 3-heteroaryl-3-oxocarboxylic esters in the presence of ruthenium-containing catalysts.

  本发明涉及一种在含有钌催化剂的情况下还原3-杂环基-3-酮羧酸酯以制备立体异构富集的3-杂环基-3-羟基羧酸酯的方法。
• Environmentally benign metal-free decarboxylative aldol and Mannich reactions
  作者：Jérôme Baudoux、Pierre Lefebvre、Rémi Legay、Marie-Claire Lasne、Jacques Rouden

  DOI：10.1039/b915681j

  日期：——

  hemimalonate used. With the unsubstituted substrate, a carboxylic acid intermediate was isolated upon acid quench resulting from the nucleophilic addition of the putative enol carboxylate anion of the hemimalonate to imines/aldehydes before CO2 loss. With substituted hemimalonates, the reaction likely involved an enolate which then added to imines/aldehydes or was competitively protonated. According to the base

  旨在发展绿色和高效的C–C键结构（醛醇盐和 曼尼希反应）的脱羧亲核加成 丙二酸 一半 酯 到 亚胺研究了在无金属的温和条件下的醛或醛。温度的仔细控制和有机碱的适当的选择使我们能够得到β氨基酯或β羟基酯，包括在中等至良好的产率α取代和α，α-二取代的。1 H NMR 对反应的监测揭示了两种不同的机制，具体取决于 半棉酸盐用过的。对于未取代的底物，羧酸 酸淬灭后分离出中间体，归因于亲核加成 烯醇 羧酸盐 的负离子 半棉酸盐 到 亚胺/醛在CO 2损失之前。对于取代的半棉酸酯，反应可能涉及烯醇，然后将其添加到亚胺/醛或竞争性质子化。根据所用的碱，该反应可以在以下条件下进行溶剂 自由条件或在温和条件下的离子液体中。
• Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same
  申请人：Nuwa Shigeru

  公开号：US20050043544A1

  公开（公告）日：2005-02-24

  The present invention provides an industrially advantageous process for producing a steroid C 17,20 lyase inhibitor represented by the general formula (I): and a Reformatsky reagent in a stable form suitable for the process. In the present invention, a compound represented by the general formula (I) is produced by reducing a specific β-hydroxy ester compound derivative or a salt thereof obtained from a specific carbonyl compound in a Reformatsky reaction in the presence of a metal hydride complex and a metal halide, and then subjecting it to a ring-closing reaction. In the above Reformatsky reaction, it is useful to use a stable solution of a compound represented by the general formula BrZnCH 2 COOC 2 H 5 or a crystal of the compound which is represented by the formula (BrZnCH 2 COOC 2 H 5 .THF) 2 .

  本发明提供了一种工业上有利的方法，用于制备一种由一般式（I）表示的类固醇C17，20裂解酶抑制剂和适用于该过程的稳定的Reformatsky试剂。在本发明中，通过在金属氢化物复合物和金属卤化物的存在下还原从特定羰基化合物得到的特定β-羟基酯化合物衍生物或其盐，并随后将其进行环闭合反应，从而产生一种由一般式（I）表示的化合物。在上述Reformatsky反应中，使用由一般式BrZnCH2COOC2H5表示的化合物的稳定溶液或由公式（BrZnCH2COOC2H5.THF）2表示的化合物的晶体是有用的。
• Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives
  申请人：Berendes Frank

  公开号：US20060264641A1

  公开（公告）日：2006-11-23

  The invention relates to a process for preparing enantiomer-enriched 3-heteroaryl-3-hydroxypropanoic acid derivatives and 3-heteroaryl-1-aminopropan-3-ols, and to their use.

  本发明涉及一种制备对映富集的3-杂环基-3-羟基丙酸衍生物和3-杂环基-1-氨基丙醇的方法，以及它们的应用。
• Derivatives of penem
  申请人：DAIICHI SEIYAKU CO., LTD.

  公开号：EP0210883A2

  公开（公告）日：1987-02-04

  New derivatives of penem and pharmaceutically acceptable salt thereof are herein disclosed; the compouinds being useful as an antibacterial agent which has a high sensibility to

  本文公开了青霉烯的新衍生物及其药学上可接受的盐；这些化合物可用作抗菌剂，对以下物质具有高度敏感性