| 1426136-73-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 1426136-73-3
• 化学式: C₁₆H₁₆Cl₂N₆O₂
• 分子量: 395.248
• InChiKey: ZKCQANGYACPCHU-NXEZZACHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.04
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  109.76
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 二苯基膦 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 20.0h， 以90%的产率得到
  参考文献：
  名称：

  Hydrophilic pyrazine-based phosphane ligands: synthesis and application in asymmetric hydride transfer and H2-hydrogenation of acetophenone

  摘要：

  Pyrazine-based hydrophilic phosphanes are useful ligands for the ruthenium- and rhodium-catalyzed hydrogenations of acetophenone under hydride transfer and dihydrogen conditions. The effect of alcohol additives on the catalytic, enantioselective aqueous hydrogenation of acetophenone is examined with the newly developed (R,R)-DAMPYPHOS as the ligand and Rh-2(norbornadiene)(2)Cl-2 as the catalyst precursor, giving rise to higher conversions (up to quantitative) and improved enantiomeric excesses (up to 95%) of the formed 1-phenylethanol. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.108
• 作为产物：
  描述：

  6-氯吡嗪-2-羧酸 在 oxalyl chloride 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Hydrophilic pyrazine-based phosphane ligands: synthesis and application in asymmetric hydride transfer and H2-hydrogenation of acetophenone

  摘要：

  Pyrazine-based hydrophilic phosphanes are useful ligands for the ruthenium- and rhodium-catalyzed hydrogenations of acetophenone under hydride transfer and dihydrogen conditions. The effect of alcohol additives on the catalytic, enantioselective aqueous hydrogenation of acetophenone is examined with the newly developed (R,R)-DAMPYPHOS as the ligand and Rh-2(norbornadiene)(2)Cl-2 as the catalyst precursor, giving rise to higher conversions (up to quantitative) and improved enantiomeric excesses (up to 95%) of the formed 1-phenylethanol. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.108