2,7-bis((4-(5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl)phenyl)buta-1,3-diynyl)-9H-fluoren-9-one | 1210518-85-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2,7-bis((4-(5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl)phenyl)buta-1,3-diynyl)-9H-fluoren-9-one
• 英文别名: 2,7-Bis[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]buta-1,3-diynyl]fluoren-9-one；2,7-bis[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]buta-1,3-diynyl]fluoren-9-one
• CAS: 1210518-85-6
• 化学式: C₅₇H₄₀N₄O₃
• 分子量: 828.97
• InChiKey: CKBDEANJQQCVQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  64
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  94.9
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,7-bis((4-(5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl)phenyl)buta-1,3-diynyl)-9H-fluoren-9-one 在 肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以86%的产率得到5,5'-(4,4'-(9-hydrazono-9H-fluoren-2,7-diyl)bis(buta-1,3-diyne-4,1-diyl)bis(4,1-phenylene))bis(2-(4-tert-butyphenyl)-1,3,4-oxadiazole)
  参考文献：
  名称：

  Photochromism of dihydroindolizines. Part XVI: first attempts toward molecular wires comprising photochromic dihydro 5-azaindolizines and π-extended ethynyl and butadiynyl oxadiazole derivatives

  摘要：

  Eight new photochromic dihydro, 5-azaindolizines (DHAIs) linked with 2,5-diaryl-1,3,4-oxadiazole (OXD) derivatives containing terminal ethynes and butadiyne substituents on the fluorene part of the DHAI skeleton are synthesized via palladium-mediated coupling reaction pathways. Irradiation of the DHAI-OXD derivatives with polychromatic light affords red- and green-colored betaines. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.11.117
• 作为产物：
  描述：

  2,7-二碘-9H-芴-9-酮 、 2-(4-tert-butylphenyl)-5-4-(4-buta-1,3-diynylphenyl)-1,3,4-oxadiazole 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 作用下， 以 四氢呋喃 、 三乙胺 为溶剂， 反应 12.0h， 以46%的产率得到2,7-bis((4-(5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl)phenyl)buta-1,3-diynyl)-9H-fluoren-9-one
  参考文献：
  名称：

  Photochromism of dihydroindolizines. Part XVI: first attempts toward molecular wires comprising photochromic dihydro 5-azaindolizines and π-extended ethynyl and butadiynyl oxadiazole derivatives

  摘要：

  Eight new photochromic dihydro, 5-azaindolizines (DHAIs) linked with 2,5-diaryl-1,3,4-oxadiazole (OXD) derivatives containing terminal ethynes and butadiyne substituents on the fluorene part of the DHAI skeleton are synthesized via palladium-mediated coupling reaction pathways. Irradiation of the DHAI-OXD derivatives with polychromatic light affords red- and green-colored betaines. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.11.117