5-phenyl-2,8-di-2-thienylanthyridine

• 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: 5-phenyl-2,8-di-2-thienylanthyridine
• 英文别名: 5-Phenyl-2,8-dithiophen-2-ylpyrido[2,3-b][1,8]naphthyridine；5-phenyl-2,8-dithiophen-2-ylpyrido[2,3-b][1,8]naphthyridine
• 化学式: C₂₅H₁₅N₃S₂
• 分子量: 421.546
• InChiKey: BPJUYYPSWIHCNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dirhodium tetraacetate 、 5-phenyl-2,8-di-2-thienylanthyridine 以 氯仿 为溶剂， 反应 12.0h， 以82%的产率得到Rh2(OAc)3(5-phenyl-2,8-di-2-thienylanthyridine-H)
  参考文献：
  名称：

  Cyclometalation of Anthyridine-Based Ligands with Dirhodium Acetates: Structure and Catalytic Activity

  摘要：

  Coordination of 2,8-Ar-2-5-phenylanthyridines (Ar = 2-thienyl, 1a; Ar = 2-ClC6H4-, 1b) with dirhodium tetraacetate yielded the cyclometalated complexes [Rh-2(OAc)(3)(metalated-1a)] (3a) and [Rh-2(OAc)(3)(metalated-1b)] (3b), respectively. Under acidic conditions, cleavage of the Rh-C bond in 3a,b took place to give the corresponding coordination complexes 4a,b. Treatment of 3a,b with PPh3 led to the phosphine-cyclometalated species [Rh-2(OAc)(2){P,C-(C6H4)PPh2)(metalated-1a)] (5a) and [Rh-2(OAc)(2){P,C-(C6H4)PPh2}(metalated-1b)] (5b), respectively. These new dirhodium complexes have been structurally characterized by NMR spectroscopy, and some representative compounds were also analyzed by X-ray methods. The use of these newly prepared dirhodium complexes as catalysts for the allylic oxidation of cydohexenes was investigated.

  DOI：

  10.1021/om400508a
• 作为产物：
  描述：

  2,6-diamino-4-phenylpyridine-3,5-dicarbonitrile 在 palladium on activated charcoal 盐酸 、 氢氧化钾 、 氢气 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 3.0h， 生成 5-phenyl-2,8-di-2-thienylanthyridine
  参考文献：
  名称：

  Synthesis of heterocyclic compounds containing three contiguous hydrogen bonding sites in all possible arrangements

  摘要：

  The synthesis of compounds containing three contiguous hydrogen bond sites is reported. There are six ways of arranging three adjacent hydrogen bond donor (D) and acceptor (A) sites. General synthetic routes to heterocyclic compounds with each arrangement is reported.

  DOI：

  10.1016/0040-4020(94)00922-h