4-oxo-3,4-dihydro-(1H)-2,3-benzoxazine | 7115-95-9

• 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: 4-oxo-3,4-dihydro-(1H)-2,3-benzoxazine
• 英文别名: 1H-2,3-benzoxazine-4(3H)-one；1H-benzo[d][1,2]oxazin-4-one；1H-2,3-benzoxazin-4(3H)-one；1H-2,3-benzossazin-4(3H)-one；1H-2,3-Benzoxazin-4(3H)-on；1H-2,3-benzoxazin-4-one
• CAS: 7115-95-9
• 化学式: C₈H₇NO₂
• 分子量: 149.149
• InChiKey: IRFHDKSYZZGBKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-oxo-3,4-dihydro-(1H)-2,3-benzoxazine 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 2-甲基苯甲酰胺
  参考文献：
  名称：

  Pifferi,G. et al., Gazzetta Chimica Italiana, 1966, vol. 96, p. 1671 - 1695

  摘要：

  DOI：
• 作为产物：
  描述：

  Methyl 1-(phthalimidooxymethyl)benzoate 、 一水合肼 以 甲醇 为溶剂， 以to give 5.4 grams of 1H-2,3-benzoxazin-4(3H)-one的产率得到4-oxo-3,4-dihydro-(1H)-2,3-benzoxazine
  参考文献：
  名称：

  Herbicidal 2-(aminophenyl)methyl derivatives of 3-isoxazolidinones or

  摘要：

  本发明公开了化学式为##STR1##的化合物，其制剂以及它们作为除草剂的应用，并进行了实例说明。

  公开号：

  US04552585A1

文献信息

• [EN] TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS<br/>[FR] HÉTÉROCYCLES TRICYCLIQUES UTILES COMME INHIBITEURS DE LA DIPEPTIDYL PEPTIDASE IV
  申请人：SCHERING CORP

  公开号：WO2012078448A1

  公开（公告）日：2012-06-14

  The present invention is directed to novel tricyclic heterocycles of structural formula I which are inhibitors of the dipeptidyl peptidase-IV enzyme and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly Type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved. I

  本发明涉及具有结构式I的新型三环杂环化合物，这些化合物是二肽基肽酶-IV酶的抑制剂，对治疗或预防二肽基肽酶-IV酶参与的疾病具有用处，如糖尿病，特别是2型糖尿病。该发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在预防或治疗二肽基肽酶-IV酶参与的疾病中的使用。
• O,N-substituted hydroxylamine derivatives—VI
  作者：G. Pifferi、E. Testa

  DOI：10.1016/s0040-4020(01)82130-x

  日期：1966.1

  of a new heterocyclic compound, 1H-2,3-benzoaxazine-4(3H)-one (I), by cyclization of α-aminoxy-o-toluic acid (VIII) is reported. Some 3-acyl, 3-alkyl- and 3-aminoalkyl-derivatives of I as well as 6-nitro-, 6-amino and 6-sulfonamido-derivatives were prepared. The physico-chemical behaviour of the compounds is reported.

  据报道，通过环化α-氨基xy-邻甲苯甲酸（VIII），合成了一种新的杂环化合物1H-2,3-苯并恶嗪-4（3H）-（I）。制备了一些I的3-酰基，3-烷基和3-氨基烷基衍生物以及6-硝基-，6-氨基和6-磺酰胺基衍生物。报道了化合物的物理化学行为。
• [EN] METHOD FOR PRODUCING OXAZOLE COMPOUND<br/>[FR] PROCÉDÉ DE PRODUCTION DE COMPOSÉ OXAZOLE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2014034958A1

  公开（公告）日：2014-03-06

  An object of the present invention is to provide a novel method for producing an oxazole compound. The invention relates to a method for producing a compound represented by formula (1): wherein R1 is lower alkyl group or halogen substituted lower alkyl group, R2 is lower alkyl group, R5 is lower alkyl group, R11 is lower alkyl group, halogen substituted lower alkyl group or a group represented by formula: -CY2COOR12, wherein Y is a halogen atom, R12 is an alkali metal atom or lower alkyl group, Ar1 is phenyl group substituted with lower alkyl group, etc., or pyridyl group substituted with lower alkyl group, etc., X2, X3 and X9 are the same or different and are halogen atoms, X4 is a leaving group, and M is an alkali metal atom.

  本发明的目的是提供一种生产噁唑化合物的新方法。该发明涉及一种生产由式（1）表示的化合物的方法：其中R1是较低的烷基或卤素取代的较低烷基，R2是较低的烷基，R5是较低的烷基，R11是较低的烷基，卤素取代的较低烷基或由式表示的基团：-CY2COOR12，其中Y是卤素原子，R12是碱金属原子或较低的烷基，Ar1是苯基取代的较低烷基等，或吡啶基取代的较低烷基等，X2、X3和X9相同或不同，是卤素原子，X4是一个离去基团，M是一种碱金属原子。
• Nucleophilic Attack on the Carbon - Nitrogen Double Bond Leading to Tetrahedral Intermediates with Conformationally Restricted Stereochemistry
  作者：James E. Johnson、Lei Lu、Yi Li、Mei Hou、Jeffrey E. Rowe

  DOI：10.1071/ch08312

  日期：——

  effect for the Z and E isomers are kZBr/kZCl = 3.08 and kEBr/kECl = 2.38. The Z-to-E rate ratios are 0.25 (chlorides) and 0.33 (bromides). These reactions are proceeding by rate-determining nucleophilic attack by the alkoxide ion on the carbon–nitrogen double bond (AN# + DN). The restricted stereochemistry of the tetrahedral intermediates suggests that the E-hydroximoyl bromide and chloride may be

  已经研究了 4-氯-1H-2,3-苯并恶嗪 4 上的甲醇盐离子取代。已使用叔丁醇钾从醇类。Z 和 E 异构体的元素效应是 kZBr/kZCl = 3.08 和 kEBr/kECl = 2.38。Z 与 E 的比率为 0.25（氯化物）和 0.33（溴化物）。这些反应是通过碳-氮双键 (AN# + DN) 上的醇盐离子的亲核攻击来进行的。四面体中间体的受限立体化学表明，E-羟肟酰溴和氯化物可能正在经历非辅助电离以形成导致产物的两性离子中间体。或者，
• Heterocyclic compounds having antidiabetic hypolipidemic
  申请人：Dr. Reddy's Research Foundation

  公开号：US06011036A1

  公开（公告）日：2000-01-04

  The present invention relates to novel antidiabetic compounds, their tautomeric forms, their analogues, their derivatives, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. This invention particularly relates to novel azolidinedione compounds of the general formula (I), and their analogues, their derivatives, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, pharmaceutically acceptable solvates and pharmaceutical compositions containing them. ##STR1##

  本发明涉及新型抗糖尿病化合物、它们的互变异构体、它们的类似物、它们的衍生物、它们的立体异构体、它们的多晶形态、它们的药学上可接受的盐、药学上可接受的溶剂和含有它们的药学上可接受的组合物。本发明特别涉及一般式（I）的新型噁唑烷二酮化合物及其类似物、衍生物、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含有它们的制剂。##STR1##