1,3-dibenzyl-7-methoxypyrazolo[3,4-c]pyridine | 918882-25-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-dibenzyl-7-methoxypyrazolo[3,4-c]pyridine
• 英文别名: 1,3-Dibenzyl-7-methoxy-1H-pyrazolo[3,4-c]pyridine
• CAS: 918882-25-4
• 化学式: C₂₁H₁₉N₃O
• 分子量: 329.401
• InChiKey: ARFFMGMOPJLVLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  溴甲苯 、 3-benzyl-7-methoxypyrazolo[3,4-c]pyridine 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以68%的产率得到1,3-dibenzyl-7-methoxypyrazolo[3,4-c]pyridine
  参考文献：
  名称：

  Synthesis and tautomerism study of 7-substituted pyrazolo[3,4-c]pyridines

  摘要：

  A number of 7-substituted pyrazolo[3,4-c]pyridine derivatives have been synthesized in order to investigate the N1-N2 tautomerism within this class of biologically interesting compounds. Tautomeric equilibrium has been studied using NMR C-13, N-15 chemical shifts and heteronuclear H-1-N-15 and H-1-C-13 spin-spin couplings, in conjunction with X-ray crystallography. The N1 tautomer predominates in DMF solution in all the compounds tested. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.09.081

文献信息

• Synthesis and tautomerism study of 7-substituted pyrazolo[3,4-c]pyridines
  作者：Vassilios N. Kourafalos、Panagiotis Marakos、Emmanuel Mikros、Nicole Pouli、Jaromír Marek、Radek Marek

  DOI：10.1016/j.tet.2006.09.081

  日期：2006.12

  A number of 7-substituted pyrazolo[3,4-c]pyridine derivatives have been synthesized in order to investigate the N1-N2 tautomerism within this class of biologically interesting compounds. Tautomeric equilibrium has been studied using NMR C-13, N-15 chemical shifts and heteronuclear H-1-N-15 and H-1-C-13 spin-spin couplings, in conjunction with X-ray crystallography. The N1 tautomer predominates in DMF solution in all the compounds tested. (c) 2006 Elsevier Ltd. All rights reserved.