10-Methylsulfinylbenzo[b][1,5]naphthyridine | 1352929-02-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 10-Methylsulfinylbenzo[b][1,5]naphthyridine
• 英文别名: 10-methylsulfinylbenzo[b][1,5]naphthyridine
• CAS: 1352929-02-2
• 化学式: C₁₃H₁₀N₂OS
• 分子量: 242.301
• InChiKey: YCTZBQRFNCNSAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  62.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-甲基茚 、 10-Methylsulfinylbenzo[b][1,5]naphthyridine 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以780 mg的产率得到
  参考文献：
  名称：

  Synthesis and Complexation Behavior of Indenyl and Cyclopentadienyl Ligands Functionalized with a Naphthyridine Unit

  摘要：

  Lithium indenide (Li-Ind) or cyclopentadienide (Li-Cp) derivatives react as nucleophiles with 8-(methylsulfinyl)-1,5-naphthyridine (Naph), leading to donor-functionalized ligands Ind(Naph) or Cp-Naph, respectively. The new ligands comprise two N-donor atoms, which, for geometric reasons, cannot bind to the same metal atom. In complexes, where the metal atom is bound by the Cp or Ind moiety, the N5-donor atom is located in a distal position. The coordination behavior to Rh or Zr metal centers has been investigated. The Cp-based ligands show the expected chelating coordination mode with eta(5)-Cp and N coordination, whereas the indenyl units act as dihapto, trihapto, or pentahapto ligands. The dinuclear Rh(I) complex 12 shows a rare coordination geometry with two eta(3) ligands bridging a Rh-2(CO)(3) fragment.

  DOI：

  10.1021/om2009638
• 作为产物：
  描述：

  1-Aza-9(10H)-acridon 在 草酰氯 、 N,N-二甲基甲酰胺 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.92h， 生成 10-Methylsulfinylbenzo[b][1,5]naphthyridine
  参考文献：
  名称：

  Synthesis and Complexation Behavior of Indenyl and Cyclopentadienyl Ligands Functionalized with a Naphthyridine Unit

  摘要：

  Lithium indenide (Li-Ind) or cyclopentadienide (Li-Cp) derivatives react as nucleophiles with 8-(methylsulfinyl)-1,5-naphthyridine (Naph), leading to donor-functionalized ligands Ind(Naph) or Cp-Naph, respectively. The new ligands comprise two N-donor atoms, which, for geometric reasons, cannot bind to the same metal atom. In complexes, where the metal atom is bound by the Cp or Ind moiety, the N5-donor atom is located in a distal position. The coordination behavior to Rh or Zr metal centers has been investigated. The Cp-based ligands show the expected chelating coordination mode with eta(5)-Cp and N coordination, whereas the indenyl units act as dihapto, trihapto, or pentahapto ligands. The dinuclear Rh(I) complex 12 shows a rare coordination geometry with two eta(3) ligands bridging a Rh-2(CO)(3) fragment.

  DOI：

  10.1021/om2009638