ethyl 2-((tert-butoxycarbonyl)amino)-3-oxobutanoate | 178200-66-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 2-((tert-butoxycarbonyl)amino)-3-oxobutanoate
• 英文别名: Ethyl 2-((tert-butoxycarbonyl)amino)-3-oxobutanoate；ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutanoate
• CAS: 178200-66-3
• 化学式: C₁₁H₁₉NO₅
• 分子量: 245.276
• InChiKey: NRUBCKVPNJDKJW-UHFFFAOYSA-N

物化性质

• 沸点：
  342.7±32.0 °C(Predicted)
• 密度：
  1.097±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-((tert-butoxycarbonyl)amino)-3-oxobutanoate 在 盐酸 、 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 生成 alpha-(乙酰基氨基)乙酰基乙酸乙酯
  参考文献：
  名称：

  Pd-catalyzed enantioselective synthesis of quaternary α-amino acid derivatives using a phenylalanine-derived P-chirogenic diaminophosphine oxide

  摘要：

  A Pd-catalyzed enantio selective synthesis of quaternary alpha-amino acid derivatives using a phenylalanine-derived P-chirogenic diaminophosphine oxide is described. Asymmetric allylic substitution using acyclic beta-keto esters with a nitrogen functional group at the alpha-carbon as prochiral nucleophiles proceeded in the presence of 5 mol % of Pd catalyst, 10 mol % of chiral diaminophosphine oxide 1j, BSA, and appropriate additives, affording the corresponding quaternary alpha-amino acid derivatives in excellent yield and in up to 92% ee. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.07.020
• 作为产物：
  描述：

  乙酰乙酸乙酯 在 palladium on activated charcoal 、 氢气 、 溶剂黄146 、 sodium nitrite 作用下， 以 甲醇 、 水 为溶剂， 反应 5.0h， 生成 ethyl 2-((tert-butoxycarbonyl)amino)-3-oxobutanoate
  参考文献：
  名称：

  [EN] OXAZOLE OREXIN RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DE RÉCEPTEUR D'OREXINE À BASE D'OXAZOLE

  摘要：

  本发明涉及氧唑化合物，其为促进素受体的拮抗剂。本发明还涉及所述氧唑化合物在潜在的治疗或预防涉及促进素受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及促进素受体的疾病中的用途。

  公开号：

  WO2015020930A1

文献信息

• [EN] OXAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS OXAZOLE ANTAGONISTES DES RÉCEPTEURS D'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015018029A1

  公开（公告）日：2015-02-12

  The present invention is directed to oxazole compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the oxazole compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及氧唑化合物，其为促进睡眠的受体拮抗剂。本发明还涉及所述氧唑化合物在潜在治疗或预防涉及促进睡眠的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及促进睡眠的疾病中的用途。
• METHOD FOR PREPARING (2RS)-AMINO-(3S)-HYDROXY-BUTYRIC ACID AND ITS DERIVATIVES
  申请人：AMINOLOGICS Co., Ltd.

  公开号：US20160017389A1

  公开（公告）日：2016-01-21

  The present invention relates to a method for easily preparing (2RS)-amino-(3S)-hydroxy-butyric acid, which is a chiral amino acid, in a high yield and a high purity using a chemical synthesis and enzymatic reduction reaction; an intermediate therefor; and a method for preparing the intermediate.

  本发明涉及一种通过化学合成和酶还原反应，在高产率和高纯度下轻松制备（2RS）-氨基-(3S)-羟基丁酸的方法；以及所述方法的中间体；以及制备中间体的方法。
• A practical synthesis of α-acylamino-β-keto-esters: Acylation of alkyl hydrogen (acylamino)malonates via the MgCl2/R3N base system
  作者：Damian J. Krysan

  DOI：10.1016/0040-4039(96)00581-3

  日期：1996.5

  An operationally simple procedure for the synthesis of α-acylamino-β-keto-esters has been devised using a MgCl2/R3N base system to generate the magnesium enolates of a series of alkyl hydrogen (acylamino)malonates. These reagents smoothly react at 0 °C with a variety of acid chlorides to give α-acylamino-β-keto-esters in good to excellent yields. In addition to being quite convenient and versatile

  已经设计了使用MgCl 2 / R 3 N碱系统合成α-酰基氨基-β-酮基酯的操作简单的程序，以生成一系列烷基氢（酰基氨基）丙二酸烯醇镁。这些试剂可在0°C下与各种酰氯平稳反应，从而以良好或极佳的收率得到α-酰基氨基-β-酮酸酯。除了对于小规模制备非常方便和通用之外，该方法还应该非常适合于这种重要分子类别的大规模合成。
• Method of Preparing a Ring Compound Having Two Adjacent Chiral Centers
  申请人：Schultze M. Lisa

  公开号：US20070276145A1

  公开（公告）日：2007-11-29

  A method of synthesizing a chiral compound having a quaternary carbon atom bearing diastereotopic groups from (a) a nitroolefin and (b) an α-substituted β-dicarbonyl or an equivalent compound having an acidic C—H moiety compound is disclosed. A subsequent intramolecular reaction between one of the substituents comprising the stereogenic carbon atom and one of the diastereotopic groups comprising the quaternary carbon atom creates a new compound having two contiguous stereogenic centers, one of which is quaternary, with control over the relative stereochemistry.

  本发明公开了一种从（a）硝基烯烃和（b）α-取代的β-二羧基或具有酸性C-H官能团的等效化合物合成具有四元碳原子承载对映异构基团的手性化合物的方法。随后，由立体异构碳原子中的一个取代基与四元碳原子中的一个对映异构基团之一之间的分子内反应，创造了一个具有两个相邻的手性中心的新化合物，其中一个是四元的，并控制相对立体化学。
• MINERALOCORTICOID RECEPTOR ANTAGONISTS
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20150166490A1

  公开（公告）日：2015-06-18

  The present invention is directed to compounds of the Formula I as well as pharmaceutically acceptable salts thereof, that are potentially useful for treating aldosterone-mediated diseases. The invention furthermore relates to processes for preparing compounds of the Formula I, to their possible use in the treatment of the abovementioned diseases and for preparing pharmaceuticals for this purpose, and to pharmaceutical compositions which comprise compounds of the Formula I.

  本发明涉及式I化合物及其药学上可接受的盐，这些化合物可能有助于治疗醛固酮介导的疾病。此外，本发明还涉及制备式I化合物的方法，其可能用于治疗上述疾病和制备药物，以及包含式I化合物的药物组合物。