3-[2-[[5-(Phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-4,5-dihydroimidazol-1-yl]propanenitrile | 960394-79-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-[2-[[5-(Phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-4,5-dihydroimidazol-1-yl]propanenitrile
• 英文别名: 3-[2-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-4,5-dihydroimidazol-1-yl]propanenitrile
• CAS: 960394-79-0
• 化学式: C₁₅H₁₆N₆OS
• 分子量: 328.398
• InChiKey: ATCOAIVUBLEXPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(4,5-dihydro-1H-imidazol-2-yl)-5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine 、 丙烯腈 在 aluminum oxide 、 potassium fluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以75%的产率得到3-[2-[[5-(Phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-4,5-dihydroimidazol-1-yl]propanenitrile
  参考文献：
  名称：

  A Novel Method for N3-Functionalized Aminoimidazolines and Aminopyrimidines by Aza-Michael Additions of Aminoimidazolines and Aminopyrimidines to α,β-Unsaturated Carbonyl Compounds

  摘要：

  An efficient and convenient procedure is described for the preparation of N3-functionalized aminoimidazolines and aminopyrimidines through the aza-Michael additions of aminoimidazolines and aminopyrimidines with alpha, beta-unsaturated carbonyl compounds catalyzed by KF/Al(2)O(3). This method offers a novel and efficient protocol for the N3-functionalized aminoimidazolines and aminopyrimidines with good regioselectivity and high purity under mild conditions.

  DOI：

  10.3987/com-07-11118

文献信息

• A Novel Method for N3-Functionalized Aminoimidazolines and Aminopyrimidines by Aza-Michael Additions of Aminoimidazolines and Aminopyrimidines to α,β-Unsaturated Carbonyl Compounds
  作者：Xi-Cun Wang、Cheng-Wei Lv、Zheng-Jun Quan、Guo-Li Huang、Wen-Long Yang

  DOI：10.3987/com-07-11118

  日期：——

  An efficient and convenient procedure is described for the preparation of N3-functionalized aminoimidazolines and aminopyrimidines through the aza-Michael additions of aminoimidazolines and aminopyrimidines with alpha, beta-unsaturated carbonyl compounds catalyzed by KF/Al(2)O(3). This method offers a novel and efficient protocol for the N3-functionalized aminoimidazolines and aminopyrimidines with good regioselectivity and high purity under mild conditions.