1,3-diisopropyl-1-(7-methyl-3-phenylisoquinolin-1-yl)-2-tosylguanidine | 1322091-47-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,3-diisopropyl-1-(7-methyl-3-phenylisoquinolin-1-yl)-2-tosylguanidine
• 英文别名: 1-(7-Methyl-3-phenylisoquinolin-1-yl)-3-(4-methylphenyl)sulfonyl-1,2-di(propan-2-yl)guanidine
• CAS: 1322091-47-3
• 化学式: C₃₀H₃₄N₄O₂S
• 分子量: 514.692
• InChiKey: CVOJSARXOGCOCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  83
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-methyl-2-(phenylethynyl)benzaldehyde 、 对甲苯磺酰肼 、 N,N'-二异丙基碳二亚胺 在 silver trifluoromethanesulfonate 作用下， 以 1,2-二氯乙烷 为溶剂， 以30%的产率得到1,3-diisopropyl-1-(7-methyl-3-phenylisoquinolin-1-yl)-2-tosylguanidine
  参考文献：
  名称：

  An expeditious approach to 1-(isoquinolin-1-yl)guanidines via a three-component reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, with carbodiimide

  摘要：

  A small library of 1-(isoquinolin-1-yl)guanidine is constructed efficiently via a silver triflate-catalyzed three-component reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, with carbodiimide. The pre-liminary biological screens of these isoquinoline library members have been evaluated, which show promising results as PTP1B inhibitor and HCT-116 inhibitor. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.06.056

文献信息

• An expeditious approach to 1-(isoquinolin-1-yl)guanidines via a three-component reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, with carbodiimide
  作者：Huanhuan Wang、Shengqing Ye、Hanpeng Jin、Jianping Liu、Jie Wu

  DOI：10.1016/j.tet.2011.06.056

  日期：2011.8

  A small library of 1-(isoquinolin-1-yl)guanidine is constructed efficiently via a silver triflate-catalyzed three-component reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, with carbodiimide. The pre-liminary biological screens of these isoquinoline library members have been evaluated, which show promising results as PTP1B inhibitor and HCT-116 inhibitor. (C) 2011 Elsevier Ltd. All rights reserved.