| 1426136-76-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 1426136-76-6
• 化学式: C₄₀H₃₆N₆O₂P₂
• 分子量: 694.712
• InChiKey: ZBYRHWKLUVMPCY-KKLWWLSJSA-N

物化性质

• 沸点：
  849.4±65.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.25
• 重原子数：
  50.0
• 可旋转键数：
  10.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  109.76
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  6-氯吡嗪-2-羧酸 在 oxalyl chloride 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 22.0h， 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
• 作为试剂：
  描述：

  苯乙酮 在 di-μ-chlorobis(norbornadiene)dirhodium(I) 、 C₄₀H₃₆N₆O₂P₂ 、 氢气 、 sodium hydroxide 、 叔丁醇 作用下， 以 水 为溶剂， 25.0 ℃ 、1.0 MPa 条件下， 反应 15.0h， 以83%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