2-Methyl-3-cyclohexenylmethylamin | 4736-17-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Methyl-3-cyclohexenylmethylamin
• 英文别名: (2-Methylcyclohex-3-en-1-yl)methanamine
• CAS: 4736-17-8
• 化学式: C₈H₁₅N
• mdl: MFCD19210070
• 分子量: 125.214
• InChiKey: UPDCBFHWIDJHDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• [EN] GROUP 5 METAL COMPLEXES USEFUL FOR AMINE FUNCTIONALIZATION AND SYNTHETIC PROCESS FOR MANUFACTURE THEREOF<br/>[FR] COMPLEXES DE MÉTAUX DU GROUPE 5 UTILES POUR LA FONCTIONNALISATION PAR AMINE ET PROCÉDÉ DE SYNTHÈSE POUR LEUR FABRICATION
  申请人：UNIV BRITISH COLUMBIA

  公开号：WO2012040853A1

  公开（公告）日：2012-04-05

  The present invention provides Group 5 metal complexes useful for amine functionalization and synthetic process for manufacture thereof. Provided in this application are halo group 5 metal-amidate complexes having the structure of Formula I: I wherein: M is a group 5 metal, such as Ta, Nb or V; X is a halo substituent, such as CI, F, I or Br; n = 1 or 2,; s = 1 or 2; R1 and R2 are each independently H; a C1 - C25 substituted or unsubstituted, linear, branched or cyclic alkyl; or substituted or unsubstituted aryl or heterocyclic groups; R' is independently a C1 - C25 substituted or unsubstituted, linear, branched or cyclic alkyl; a substituted or unsubstituted aryl; a substituted or unsubstituted heterocyclic group; or NR32; and each R3 is independently a C1 - C25 substituted or unsubstituted, linear, branched or cyclic alkyl; a substituted or unsubstituted aryl; or substituted or unsubstituted heterocyclic group, and a process for synthesis thereof. Also provided are the corresponding metallaaziridine complexes. The metal complex of Formula I, and the corresponding metallaaziridine complex are useful as a catalysts in ct-alkylation of secondary amines and, therefore, also provided are methods of using the metal complex of Formula I, and the corresponding metallaaziridine complex in o-alkylation of secondary amines. This application also provides methods of using the corresponding non-halo group 5 metal-amidate complexes and metallaaziridine complexes in α-alkylation of heterocycles.

  本发明提供了用于胺官能化的五族金属配合物以及其制造的合成方法。本申请提供了具有以下结构的卤素五族金属酰胺配合物，其结构如公式I所示：其中：M为五族金属，如Ta、Nb或V；X为卤素取代基，如Cl、F、I或Br；n = 1或2；s = 1或2；R1和R2各自独立为H；为C1 - C25取代或未取代的线性、支链或环烷基；或取代或未取代的芳基或杂环基；R'独立为C1 - C25取代或未取代的线性、支链或环烷基；取代或未取代的芳基；取代或未取代的杂环基；或NR32；每个R3独立为C1 - C25取代或未取代的线性、支链或环烷基；取代或未取代的芳基；或取代或未取代的杂环基，以及其合成方法。还提供了相应的金属氮杂环丙烷配合物。公式I的金属配合物和相应的金属氮杂环丙烷配合物在次烷胺的α-烷基化中作为催化剂是有用的，因此，还提供了使用公式I的金属配合物和相应的金属氮杂环丙烷配合物在次烷胺的o-烷基化中的方法。本申请还提供了使用相应的非卤素五族金属酰胺配合物和金属氮杂环丙烷配合物在杂环的α-烷基化中的方法。