9-chloro-1,6,7-tris(4-chlorophenyl)-3-methyl-4H-pyrido[2,1-a]isoquinolin-4-one

• 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: 9-chloro-1,6,7-tris(4-chlorophenyl)-3-methyl-4H-pyrido[2,1-a]isoquinolin-4-one
• 英文别名: 9-Chloro-1,6,7-tris(4-chlorophenyl)-3-methylbenzo[a]quinolizin-4-one；9-chloro-1,6,7-tris(4-chlorophenyl)-3-methylbenzo[a]quinolizin-4-one
• 化学式: C₃₂H₁₉Cl₄NO
• 分子量: 575.321
• InChiKey: UXCOTYKRVAWAME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  38
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-氯-4-[2-(4-氯苯基)乙炔基]苯 、 N-[methacryloyl]-S-methyl-S-phenylsulfoximine 在 silver hexafluoroantimonate 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 copper(II) acetate monohydrate 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以80%的产率得到9-chloro-1,6,7-tris(4-chlorophenyl)-3-methyl-4H-pyrido[2,1-a]isoquinolin-4-one
  参考文献：
  名称：

  Transformable Sulfoximine Assisted One-Pot Double Annulation of Vinylic C–H Bonds with Unactivated Alkynes

  摘要：

  The methylphenyl sulfoximine (MPS) directing group (DG) successfully promotes the one-pot double annulation of acrylic acids with alkynes under Ru catalysis, which is unprecedented. Diverse arrays of pyrido-fused-isoquinolinone skeletons are fabricated from acrylamides, creating two C-C and two C-N bonds in a single operation. The unsymmetrical annulation with two distinct alkynes is presented. The recovery of methylphenyl sulfoxide, a precursor of MPS, validates the synthetic adaptability of transformable-DG (T(f)DG) in C-H activation

  DOI：

  10.1021/acs.orglett.7b02824

文献信息

• Transformable Sulfoximine Assisted One-Pot Double Annulation of Vinylic C–H Bonds with Unactivated Alkynes
  作者：Majji Shankar、Tirumaleswararao Guntreddi、E. Ramesh、Akhila K. Sahoo

  DOI：10.1021/acs.orglett.7b02824

  日期：2017.10.20

  The methylphenyl sulfoximine (MPS) directing group (DG) successfully promotes the one-pot double annulation of acrylic acids with alkynes under Ru catalysis, which is unprecedented. Diverse arrays of pyrido-fused-isoquinolinone skeletons are fabricated from acrylamides, creating two C-C and two C-N bonds in a single operation. The unsymmetrical annulation with two distinct alkynes is presented. The recovery of methylphenyl sulfoxide, a precursor of MPS, validates the synthetic adaptability of transformable-DG (T(f)DG) in C-H activation