4-(Morpholin-4-ylamino)benzonitrile | 117911-77-0

• 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: 4-(Morpholin-4-ylamino)benzonitrile
• CAS: 117911-77-0
• 化学式: C₁₁H₁₃N₃O
• 分子量: 203.244
• InChiKey: NDDUQSFLMMNQLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  48.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氨基吗啉 、 4-溴苯腈 在 tris(dibenzylideneacetone)dipalladium (0) lithium chloride 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 25.0h， 以66%的产率得到4-(Morpholin-4-ylamino)benzonitrile
  参考文献：
  名称：

  Synthesis of N,N-Dialkyl-N‘-arylhydrazines via Palladium-Catalyzed N-Arylation by Using N,N-Dialkylhydrazines/2LiCl Adducts

  摘要：

  [GRAPHICS]The reaction of N,N-dialkylhydrazine/2LiCl adducts with aryl bromides in the presence of Pd-2(dba)(3) as the palladium source, Xantphos or X-phos as the ligands, toluene as the solvent, and NaOBu-t as the base provides an efficient route to N,N-dialkyl-N,-arylhydrazines. Best results were obtained by using N,N-dialkylhydrazine/2LiCl adducts prepared in situ, omitting their isolation.

  DOI：

  10.1021/ol050130i

文献信息

• Hydrazines and azo compounds from O-diphenylphosphinoyl arylhydroxylamines
  作者：Gernot Boche、Chris Meier、Wolfgang Kleemiβ

  DOI：10.1016/s0040-4039(00)82041-9

  日期：1988.1
• BOCHE, GERNOT;MEIER, CHRIS;KLEEMISS. , WOLFGANG, TETRAHEDRON LETT., 29,(1988) N 15, 1777-1780
  作者：BOCHE, GERNOT、MEIER, CHRIS、KLEEMISS. , WOLFGANG

  DOI：——

  日期：——
• Synthesis of <i>N,N</i>-Dialkyl-<i>N</i><i>‘</i>-arylhydrazines via Palladium-Catalyzed N-Arylation by Using <i>N,N</i>-Dialkylhydrazines/2LiCl Adducts
  作者：Sandro Cacchi、Giancarlo Fabrizi、Antonella Goggiamani、Emanuela Licandro、Stefano Maiorana、Dario Perdicchia

  DOI：10.1021/ol050130i

  日期：2005.4.14

  [GRAPHICS]The reaction of N,N-dialkylhydrazine/2LiCl adducts with aryl bromides in the presence of Pd-2(dba)(3) as the palladium source, Xantphos or X-phos as the ligands, toluene as the solvent, and NaOBu-t as the base provides an efficient route to N,N-dialkyl-N,-arylhydrazines. Best results were obtained by using N,N-dialkylhydrazine/2LiCl adducts prepared in situ, omitting their isolation.