dimethyl 2-((4-(5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl)phenyl)ethynyl)-4a'H-spiro[fluorene-9,5'-pyrrolo[1,2-b]pyridazine]-6',7'-dicarboxylate | 1210518-71-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: dimethyl 2-((4-(5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl)phenyl)ethynyl)-4a'H-spiro[fluorene-9,5'-pyrrolo[1,2-b]pyridazine]-6',7'-dicarboxylate
• 英文别名: dimethyl 2'-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]spiro[4aH-pyrrolo[1,2-b]pyridazine-5,9'-fluorene]-6,7-dicarboxylate
• CAS: 1210518-71-0
• 化学式: C₄₃H₃₄N₄O₅
• 分子量: 686.767
• InChiKey: GWDDGIHMHMHYFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  52
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  dimethyl 2-((4-(5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl)phenyl)ethynyl)-4a'H-spiro[fluorene-9,5'-pyrrolo[1,2-b]pyridazine]-6',7'-dicarboxylate 以 二氯甲烷 为溶剂， 生成 C₄₃H₃₄N₄O₅
  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：

  哒嗪 、 dimethyl 2'-((4-(5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl)phenyl)ethynyl)spiro[cycloprop[2]ene-1,9'-fluorene]2,3-dicarboxylate 反应 12.0h， 以26%的产率得到dimethyl 2-((4-(5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl)phenyl)ethynyl)-4a'H-spiro[fluorene-9,5'-pyrrolo[1,2-b]pyridazine]-6',7'-dicarboxylate
  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

文献信息

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

  DOI：10.1016/j.tetlet.2009.11.117

  日期：2010.1

  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.