3-氰基-2-乙氧基-4-苯基-7-(芘-1-基)-1,8-二氮杂萘 | 1022944-66-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 中文名称: 3-氰基-2-乙氧基-4-苯基-7-(芘-1-基)-1,8-二氮杂萘
• 英文名称: 3-cyano-2-ethoxy-4-phenyl-7-(pyren-1-yl)-1,8-naphthyridine
• CAS: 1022944-66-6
• 化学式: C₃₃H₂₁N₃O
• 分子量: 475.549
• InChiKey: KBBPMLKJSLWARS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.13
• 重原子数：
  37.0
• 可旋转键数：
  4.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  58.8
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1-乙酰基芘 、 2-amino-5-cyano-6-ethoxy-3-formyl-4-phenylpyridine 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以98%的产率得到3-氰基-2-乙氧基-4-苯基-7-(芘-1-基)-1,8-二氮杂萘
  参考文献：
  名称：

  Synthesis of new bis(2-[1,8]naphthyridinyl) bridging ligands with multidentate binding sites

  摘要：

  A series of new 2-[1,8]naphthyridinyl and bis(2-[1,8]naphthyridinyl) bridging ligands with multidentate binding sites were prepared using 2-amino-5-cyano-6-ethoxy-4-phenyl-3-carbaldehyde pyridine as excellent Friedlander synthon. Condensation with a series of acetyl(heteroaryl)-aromatics provides the corresponding 2-aryl(heteroaryl)-1,8-naphthyridines. Reaction with 1,3-diacetylbenzene, 2,6-diacetylpyridine or 4-tertbutyl-2.6-diacetylpyridine provides the expected Friedlander product. Similar 2:1 condensation with 1,4-diacetylbenzene, 4,4'-diacetylbiphenyl, 1,4- and 1,6-diacetylpyrene, 2,6-diacetylpyrazine or 2,3-butanedione leads to a family of six new bis-1,8-nap ligands. The reaction with cyclic 1.2- or 1.3-diketones affords 3,3'-annelated derivatives of all-syn or all-trans planar 2,2'-nap, respectively. Examination of the electronic absorption and emission spectra of the bridging ligands was realized. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.02.017