2--oxazol | 91330-31-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2--oxazol
• 英文别名: 2-(quinolin-2-yl)oxazole；2-oxazol-2-yl-quinoline；2-Quinolyloxazole；2-quinolin-2-yl-1,3-oxazole
• CAS: 91330-31-3
• 化学式: C₁₂H₈N₂O
• 分子量: 196.208
• InChiKey: CQMRLSAJQVRXLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 2--oxazol 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以44 %的产率得到
  参考文献：
  名称：

  CN116473077

  摘要：

  公开号：
• 作为产物：
  描述：

  (2,2-diethoxy-ethyl)-quinolin-2-ylmethylene-amine 生成 2--oxazol
  参考文献：
  名称：

  Über吡啶基恶唑，eine neue KlasseDipyridyl-ähnlicherVerbindungen

  摘要：

  吡啶基和喹啉基恶唑是通过相应杂环醛的偶氮次甲基的环脱氢反应合成的。

  DOI：

  10.1002/hlca.19620450143

文献信息

• [EN] SUBSTITUTED 2-QUINOLYL-OXAZOLES USEFUL AS PDE4 INHIBITORS<br/>[FR] 2-QUINOLYLE-OXAZOLES SUBSTITUÉS UTILES COMME INHIBITEURS DU PDE4
  申请人：SCHERING CORP

  公开号：WO2005116009A1

  公开（公告）日：2005-12-08

  The invention claims compounds of the: (formula I); wherein: (formula II) is a 5-membered heteroaryl; X is S or O; R1 is H, alkyl, cycloalkyl, cylcoalkylalkyl-, -CH2F, -CHF2, -CF3, -C(O)alkyl or -C(O)NR18R19; R3 and R4 H, alkyl, hydroxyalkyl or -C(O)Oalkyl; R5 and R6 are H, alkyl, hydroxyalkyl, alkoxyalkyl, mercaptoalkyl, -CH2F, -CHF2, -CF3, -C(O)OH or -C(O)Oalkyl; R7 is H, alkyl, alkenyl, hydroxyalkyl, cycloalkyl, alkoxyalkyl, aminoalkyl, (R17-phenyl)alkyl or -CH2-C(O)-O-alkyl; and R8 comprises alkyl, heteroaryl, phenyl or cycloalkyl, or heterocycloalkyl, all optionally substituted, or a cycloalkyl- or heterocycloalkyl-substituted amide; or R7 and R8 and the nitrogen to which they are attached together form an optionally substituted ring; and the remaining variables are as defined in the specification. Also claimed are pharmaceutical compositions, the use of the compounds as PDE4 inhibitors, and combinations with other actives.

  该发明声明了以下化合物：(化学式I)；其中：(化学式II)是一种5-成员杂环芳基；X为S或O；R1为H，烷基，环烷基，环烷基烷基，-CH2F，-CHF2，-CF3，-C(O)烷基或-C(O)NR18R19；R3和R4为H，烷基，羟基烷基或-C(O)O烷基；R5和R6为H，烷基，羟基烷基，烷氧基烷基，巯基烷基，-CH2F，-CHF2，-CF3，-C(O)OH或-C(O)O烷基；R7为H，烷基，烯基，羟基烷基，环烷基，烷氧基烷基，氨基烷基，(R17-苯基)烷基或-CH2-C(O)-O-烷基；R8包括烷基，杂环芳基，苯基或环烷基，或杂环烷基，均可选择性取代，或环烷基或杂环烷基取代的酰胺；或R7和R8及它们附着的氮一起形成一个可选择性取代的环；其余变量如规范中所定义。还声明了药物组合物，将这些化合物用作PDE4抑制剂，并与其他活性物质组合使用。
• Novel quinolyloxazole-2-ones useful as proteinkinase C inhibitors
  申请人：MERRELL DOW PHARMACEUTICALS INC.

  公开号：EP0365863A2

  公开（公告）日：1990-05-02

  This invention relates to novel quinolyloxazole-2-ones which are useful as protein kinase C inhibitors, effective in the treatment of hypertension and asthma. This invention also includes a novel procedure for producing an intermediate ketone compound involving the reaction of a bromo-quinoline compound with butyl lithium and further reacting the lithiated compound with N-methyl-N-­methoxyalkanamide.

  本发明涉及新型喹唑啉-2-酮，可用作蛋白激酶 C 抑制剂，有效治疗高血压和哮喘。本发明还包括一种生产中间酮化合物的新程序，该程序涉及溴喹啉化合物与丁基锂的反应，以及锂化化合物与 N-甲基-N-甲氧基烷酰胺的进一步反应。
• Method for synthesising an unsaturated macrocyclic ketone
  申请人：Symrise AG

  公开号：US11021426B2

  公开（公告）日：2021-06-01

  A method for producing unsaturated macrocyclic monoketones comprising the following steps: (a) preparing macrocyclic dienes with a ring size of at least 9 carbon atoms; (b) contacting the starting materials from step (a) with (b1) a palladium(II) salt and/or a palladium(II) complex; and (b2) an oxidant; and (b3) a solvent; and optionally (b4) a ligand; and optionally (b5) a co-catalyst; and optionally (b6) an acid.

  一种生产不饱和大环单酮的方法，包括以下步骤：(a) 制备环径至少为 9 个碳原子的大环二烯； (b) 将步骤(a)中的起始原料与(b1)钯(II)盐和/或钯(II)络合物；和(b2)氧化剂；和(b3)溶剂；和任选的(b4)配体；和任选的(b5)助催化剂；和任选的(b6)酸接触。
• [EN] DRUG COMBINATION AND USE THEREOF<br/>[FR] COMBINAISON DE MÉDICAMENTS ET SON UTILISATION<br/>[ZH] 药物组合及其用途
  申请人：NATURAL MEDICINE INST ZHEJIANG YANGSHENGTANG CO LTD

  公开号：WO2021213455A1

  公开（公告）日：2021-10-28

  一种用于预防和/或治疗肿瘤的药物组合，其包含：a) 预防和/或治疗有效量的抗坏血酸或其衍生物；以及b)预防和/或治疗有效量的PDE4选择性抑制剂。
• On the Mechanism of the Palladium-Catalyzed <i>tert</i>-Butylhydroperoxide-Mediated Wacker-Type Oxidation of Alkenes Using Quinoline-2-Oxazoline Ligands
  作者：Brian W. Michel、Laura D. Steffens、Matthew S. Sigman

  DOI：10.1021/ja2017043

  日期：2011.6.1

  The mechanism of the tert-butylhydroperoxide-mediated, Pd(Quinox)-catalyzed Wacker-type oxidation was investigated to evaluate the hypothesis that a selective catalyst-controlled oxidation could be achieved by rendering the palladium coordinatively saturated using a bidentate amine ligand. The unique role of the Quinox ligand framework was probed via systematic ligand modifications. The modified ligands were evaluated through quantitative Hammett analysis, which supports a "push-pull" relationship between the electronically asymmetric quinoline and oxazoline ligand modules.