乙基4,5-二甲基-1,2-恶唑-3-羧酸酯 | 160850-62-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 乙基4,5-二甲基-1,2-恶唑-3-羧酸酯
• 英文名称: 4,5-dimethylisoxazole-3-carboxylic acid ethyl ester
• 英文别名: Ethyl 4,5-dimethylisoxazole-3-carboxylate；ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
• CAS: 160850-62-4
• 化学式: C₈H₁₁NO₃
• 分子量: 169.18
• InChiKey: AEROVXUVZLDVPM-UHFFFAOYSA-N

物化性质

• 沸点：
  261.4±35.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  乙基4,5-二甲基-1,2-恶唑-3-羧酸酯 在 Raney nickel 氢气 作用下， 以 乙醇 、 水 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 24.0h， 以80%的产率得到
  参考文献：
  名称：

  Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof

  摘要：

  该发明涉及一种制备4-羟基异亮氨酸对映体和差向异构体及其衍生物的方法，其一般式为(I)，其特征在于它包括在直接导致式(I)衍生物的条件下还原一种异噁唑烷衍生物的步骤，或者在获得至少一种外消旋形式的结构为(III)的内酯，或者在手性富集混合物中，然后在碱性条件下，在无极性或极性溶剂中开环所需的内酯，并且可选地分离所需的形式。该发明可用于特别制备(2S, 3R, 4S)-4-羟基异亮氨酸。

  公开号：

  US20060205817A1
• 作为产物：
  描述：

  3-acetyl-2-hydroxybut-3-enoic acid ethyl ester 在 Lindlar's catalyst 盐酸羟胺 、 氢气 、 二甲基亚砜 、 三乙胺 、 三氟乙酸酐 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 27.0h， 生成 乙基4,5-二甲基-1,2-恶唑-3-羧酸酯
  参考文献：
  名称：

  Short and efficient preparations of isoxazole-3-carboxylic acid and imino-oxopentanoic acid potent precursors of 4-hydroxyisoleucine

  摘要：

  Herein, we describe short and efficient syntheses of isoxazole-3-carboxylic acid 3a and imino-oxopentanoic acid 8 achiral precursors of 4-hydroxyisoleucine. The developed procedures involve readily available and cheap starting materials and can easily be transposed to the large scale. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.02.056

文献信息

• SUBSTITUTED TRIAZOLOPHTHALAZINE DERIVATIVES
  申请人：Harbeson Scott L.

  公开号：US20110172235A1

  公开（公告）日：2011-07-14

  This invention relates to novel substituted triazolophthalazines and pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering selective α5 receptor partial or full inverse agonists.

  本发明涉及新型取代的三唑喹噁啉及其药学上可接受的盐。本发明还提供了包含本发明化合物的组合物，并将这种组合物用于治疗通过给予选择性α5受体部分或全反向激动剂有益治疗的疾病和病症的方法。
• Hydroxyl purine compounds and applications thereof
  申请人：GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD

  公开号：US10098885B2

  公开（公告）日：2018-10-16

  Hydroxyl purine compounds represented by formula (I), tautomers or pharmaceutically acceptable salts thereof, and applications thereof as PDE2 or TNF-α inhibitors.

  由式（I）代表的羟基嘌呤化合物、其同系物或药学上可接受的盐，及其作为 PDE2 或 TNF-α 抑制剂的应用。
• EP3205652A1
  申请人：——

  公开号：EP3205652A1

  公开（公告）日：2017-08-16
• Method for creating a database enabling the selection of at least one reaction-capable catalyst
  申请人：Wagner Alain

  公开号：US20070161039A1

  公开（公告）日：2007-07-12

  The invention relates to a method for creating a database enabling, in particular, the selection of at least one reaction-capable catalyst, comprising the following steps: a) preparing a number of different reaction media containing the same reactivity probe and each having at least one catalyst; b) analyzing, by means of an analytic method, each reaction medium after reaction, and; c) assigning, in the database, an analysis result according to step b) to the reactivity probe, this result characterizing different reaction products obtained from said reactivity probe. The database is a relational database containing: a first entity in which items of information relative to the reaction patterns listed in the data base are recorded; a second entity containing items of information relative to the state of bindings of at least one reaction pattern listed in the first entity; a third entity in which items of information associated with different reaction media are stored, and; at least one fourth entity in which items of information are stored that are linked to the analysis results of the reaction media at the end of a reaction.
• HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF
  申请人：GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD

  公开号：US20170326149A1

  公开（公告）日：2017-11-16

  Hydroxyl purine compounds represented by formula (I), tautomers or pharmaceutically acceptable salts thereof, and applications thereof as PDE2 or TNF-α inhibitors.