3,4-dihydro-2-propyl-3-oxo-2H-1,4-benzoxazine | 54888-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 3,4-dihydro-2-propyl-3-oxo-2H-1,4-benzoxazine
• 英文别名: 3-Oxo-2-propyl-3,4-dihydro-2H-1,4-benzoxazin；2-propyl-2H-benzo[b][1,4]oxazin-3(4H)-one；2-propyl-4H-benzo[1,4]oxazin-3-one；2-propyl-4H-1,4-benzoxazin-3-one
• CAS: 54888-11-8
• 化学式: C₁₁H₁₃NO₂
• 分子量: 191.23
• InChiKey: CQAWVZXZFXMKEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.19
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2-(2-nitrophenoxy)pentanenitrile 在 铁粉 、 溶剂黄146 作用下， 反应 2.5h， 以84%的产率得到3,4-dihydro-2-propyl-3-oxo-2H-1,4-benzoxazine
  参考文献：
  名称：

  在Fe /乙酸存在下通过2-（2-硝基苯氧基）乙腈加成物的还原环化反应合成2 H -1,4-苯并恶嗪-3-（4 H）-ones的简便方法

  摘要：

  本文描述了合成1，4-苯并恶嗪-3-（4 H）-one的简单途径。该方法涉及在Fe /乙酸存在下2-（2-硝基苯氧基）乙腈加合物的还原环化，其收率良好至优异。该系统与其他各种功能组兼容。

  DOI：

  10.1016/j.tet.2010.11.095

文献信息

• Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them
  申请人：Bhuniya Debnath

  公开号：US20050113368A1

  公开（公告）日：2005-05-26

  The present invention relates to novel antidiabetic, hypolipidemic, antiobesity and hypocholesterolemic compounds of formula (I) their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them, to a process for preparing such compounds. More particularly, the present invention relates to novel alkyl carboxylic acids of the general, their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them, to a process for preparing such compounds. The present invention also relates to processes for the preparation of the compounds of formula (I), novel intermediates, processes for their preparation, their use in the preparation of the above said compounds and their use as antidiabetic, hypolipidemic, antiobesity and hypocholesterolemic compounds.

  本发明涉及公式（I）的新型抗糖尿病、降脂、抗肥胖和降胆固醇化合物及其衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和包含它们的药学上可接受的组合物，以及制备这些化合物的方法。更具体地说，本发明涉及一般的烷基羧酸及其衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和包含它们的药学上可接受的组合物，以及制备这些化合物的方法。本发明还涉及公式（I）化合物的制备方法、新型中间体的制备方法、以及它们在制备上述化合物和作为抗糖尿病、降脂、抗肥胖和降胆固醇化合物的用途。
• [DE] SUBSTITUIERTE HETEROCYCLEN UND DEREN VERWENDUNG IN ARZNEIMITTELN<br/>[EN] SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS<br/>[FR] HETEROCYCLIQUES SUBSTITUES ET LEUR UTILISATION DANS DES MEDICAMENTS
  申请人：SCHERING AKTIENGESELLSCHAFT

  公开号：WO1998050372A1

  公开（公告）日：1998-11-12

  (DE) Es werden Verbindungen der Formel (I) beschrieben, deren Herstellung und Verwendung in Arzneimitteln.(EN) The invention relates to compounds of formula (I), to the production of said compounds and their use in medicaments.(FR) L'invention concerne des composés de la formule (I), leur production et leur utilisation dans des médicaments.

  （德）描述了式 (I) 的化合物，及这些化合物的制备和药用用途。（英）本发明涉及式 (I) 化合物，及其制备及其用于医药品。（法）涉及式 (I) 化合物的发明，这些化合物的制备和药用用途。
• Some 2-Substituted 2H-1,4-Benzoxazin-3(4H)-ones
  作者：Keith W. Wheeler

  DOI：10.1021/jm01241a034

  日期：1962.11.1
• Microwave-assisted one-pot regioselective synthesis of 2-alkyl-3,4-dihydro-3-oxo-2H-1,4-benzoxazines
  作者：Wei-Min Dai、Xuan Wang、Chen Ma

  DOI：10.1016/j.tet.2005.04.072

  日期：2005.7

  A protocol for regioselective one-pot synthesis of 2-alkyl-3,4-dihydro-3-oxo-2H-1,4-benzoxazines under controlled microwave heating has been developed. Starting from commercially available 2-aminophenols, a base-mediated regioselective O-alkylation took place with 2-bromoalkanoates to give the acyclic intermediates, which underwent spontaneously an intramolecular amidation reaction to furnish 2-alkyl-3,4-dihydro-3-oxo-2H-1.4-benzoxazines in 44-82% yields. For the acyclic intermediate possessing an electron-withdrawing group, microwave heating was necessary for the annulation reaction. (c) 2005 Elsevier Ltd. All rights reserved.
• TAKAXI, YUKIESI;NAKANISI, BEHNRO;KITIBU, KANTO;TAKEHNAKA, INSE
  作者：TAKAXI, YUKIESI、NAKANISI, BEHNRO、KITIBU, KANTO、TAKEHNAKA, INSE

  DOI：——

  日期：——