| 1327239-80-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1327239-80-4
• 化学式: C₁₄H₂₀O
• 分子量: 204.312
• InChiKey: PNQNWSHGRQUHEU-MQMHXKEQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.78
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  二氟苯基硼烷 、 N-(cyclohexyloxymethoxy)-N-methylacetamide 、 N-methyl-N-(((trans-4-methylcyclohexyl)oxy)methoxy)propionamide 以 二氯甲烷 为溶剂， 反应 0.08h， 生成 [(环己基氧基)甲基]苯 、 、 N-methyl-N-((((1r,4r)-4-methylcyclohexyl)oxy)methoxy)acetamide 、 N-((cyclohexyloxy)methoxy)-N-methylpropionamide
  参考文献：
  名称：

  Expanded Substrate Scope and Improved Reactivity of Ether-Forming Cross-Coupling Reactions of Organotrifluoroborates and Acetals

  摘要：

  Mixed acetals and organotrifluoroborates undergo BF3 center dot OEt2-promoted cross-couplings to give dialkyl ethers under simple, mild conditions. A survey of reaction partners identified a hydroxamate leaving group that improves the regioselectivity and product yield in the BF3 center dot OEt2-promoted coupling reaction of mixed acetals and potassium alkynyl-, alkenyl-, aryl- and heteroaryltrifluoroborates to access substituted dialkyl ethers. This leaving group enables the reaction to proceed rapidly under mild conditions (0 degrees C, 5-60 min) and permits reactions with electron-deficient potassium aryltrifluoroborates that are less reactive with other acetal substrates. A study of the reaction mechanism and characterization of key intermediates by NMR spectroscopy and X-ray crystallography identified a role for the hydroxamate moiety as a reversible leaving group that serves to stabilize the key oxocarbenium intermediate and the need for a slight excess of organodifluoroborane to serve as a catalyst. A secondary role for the boron nucleophile as an activating ligand was also considered. These studies provide the basis for a general class of reagents that lead to dialkyl ethers by a simple, predictable cross-coupling reaction.

  DOI：

  10.1021/ja205174c

文献信息

• [EN] UREA GLUCOKINASE ACTIVATORS<br/>[FR] ACTIVATEURS DE L'UREE GLUCOKINASE
  申请人：NOVO NORDISK AS

  公开号：WO2007006814A1

  公开（公告）日：2007-01-18

  [EN] The invention provides a compound of general formula (I) wherein the substituents are defined futher in the application, as well as further embodiments hereof described in the attached embodiments. The present invention also provides use of the compounds of the invention for preparation of a medicament for the treatment of various diseases, e.g. for the treatment of type 2 diabetes.
  [FR] L'invention porte sur un composé de formule générale (I) dans laquelle: les substituants sont définis plus loin dans l'application ainsi que d'autres de ses exécutions décrites dans les exécutions attenantes. L'invention porte également sur l'utilisation de tels composés pour la préparation de médicaments traitant différentes maladies dont par exemple le diabète de type II.