N-(4-methylphenyl)-1-aza-15-crown-5 | 146581-71-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-methylphenyl)-1-aza-15-crown-5
• 英文别名: 13-(4-Methylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
• CAS: 146581-71-7
• 化学式: C₁₇H₂₇NO₄
• 分子量: 309.406
• InChiKey: FSFIFDJEXWMENS-UHFFFAOYSA-N

物化性质

• 沸点：
  475.1±45.0 °C(Predicted)
• 密度：
  1.025±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  40.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tetrakis-n-butylammonium hexamolybdotungstate 、 N-(4-methylphenyl)-1-aza-15-crown-5 、 sodium chloride 以 甲醇 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and structural characterization of N-(para-substituted-phenyl)aza-15-crown-5 sodium heteropolymolybdotungstate

  摘要：

  The title complexes of [Na(N-(p-Rph)15C5) (Et2O)](2)Na2WxMo8-xO26 [(1): R = H, x = 0.26: (2): R = CH3, x = 0.50] were synthesized by the reaction of N-(p-Rph)15-crown-5 with tetra-n-butylammonium polymolybdotungstate and a sodium cation and characterized by elemental analysis, IR, H-1 NMR and H,H-COSY NMR spectra and crystal structure determination of complex (2). The complexes can be described as having a two-dimensional [Na2WxMo8-xO26](infinity)(2-) anion framework in which the sodium is coordinated with six terminal O atoms of neighbouring beta-octamolybdotungstates in octahedral geometry and a [Na(N-(p-Rph)15C5(Et2O)](+) complex cation in which the sodium cation shows pentahedral pyramidal coordination geometry, which is rarely observed. The packing of the complex cations and the two-dimensional anion framework were in different layers separately. The N-(para-substituted-phenyl)aza-15-crown-5 combined with the octamolybdotungstate anion with a ratio of W/Mo of 0.26/7.74 in complex (1) and 0.50/7.50 in complex (2), respectively, however the DB18C6 and DB24C8 chose the hexamolybdotungstate anion with a ratio of W/Mo of 4/2 and 1/5 to form the complexes [Na(DB18C6) (CH3OH)](2)W4Mo2O19 and [Na(DB24C8)](2)W1Mo5O19. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(97)00165-4
• 作为产物：
  描述：

  对氯甲苯 、 氮杂-15-冠醚-5 在 tris(dibenzylideneacetone)dipalladium (0) P(i-BuNCH₂CH₂)3N 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以80%的产率得到N-(4-methylphenyl)-1-aza-15-crown-5
  参考文献：
  名称：

  通过Pd催化芳基氯化物与氮杂-冠氮醚的胺化反应合成N-芳基氮杂-冠氮醚

  摘要：

  Pd 2（dba）3 / P（i- BuNCH 2 CH 2）3 N（1）催化剂体系有效催化氮杂-冠醚与电子形式的芳基氯化物的偶联，从而提供良好的N-芳基-氮杂-冠醚产量。含有更受约束的双环三氨基膦的Pd 2（dba）3 / P（i -BuNCH 2）3 CMe（2）催化剂体系可用于具有碱敏酯，硝基和腈官能团的芳基氯化物。

  DOI：

  10.1016/j.tet.2004.09.100

文献信息

• Triaminophosphine ligands for carbon-nitrogen and carbon-carbon bond formation
  申请人：Iowa State University Research Foundation, Inc.

  公开号：US07385058B1

  公开（公告）日：2008-06-10

  Methods and compounds are provided for the formation of carbon-nitrogen or carbon-carbon bonds comprising reacting an amine or an aryl boronic acid with an aryl halide in the presence of a palladium catalyst, a base, and a compound of formula II:

  方法和化合物用于形成碳氮或碳碳键，包括在钯催化剂、碱和公式II化合物的存在下，将胺或芳基硼酸与芳基卤化物反应。