[1,3-di(4-n-butoxyphenyl)propane-1,3-dionato]difluoroboron(III) | 250374-47-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [1,3-di(4-n-butoxyphenyl)propane-1,3-dionato]difluoroboron(III)
• 英文别名: 4,6-Bis(4-butoxyphenyl)-2,2-difluoro-1-oxa-3-oxonia-2-boranuidacyclohexa-3,5-diene
• CAS: 250374-47-1
• 化学式: C₂₃H₂₇BF₂O₄
• 分子量: 416.273
• InChiKey: VXPASGAHOXBZJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.21
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  28.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  四氟硼酸-二乙醚络合物 、 1,3-Di-(p-n-butoxyphenyl)propane-1,3-dione 以 二氯甲烷 为溶剂， 以50%的产率得到[1,3-di(4-n-butoxyphenyl)propane-1,3-dionato]difluoroboron(III)
  参考文献：
  名称：

  Reactivity of bis(long chain substituted β-diketonato)palladium(II) [Pd(OOR2)2] towards HBF4: formation of luminescent [BF2(OOR2)] derivatives. X-ray structure of [1,3-di(4-n-butoxyphenyl)propane-1,3-dionato]difluoroboron(III)

  摘要：

  Reactions of [Pd(OOR2)(2)] (OOR2 = 1,3-di(4-n-alkyloxyphenyl)propane-1,3-dionato; R = C6H4OCnH2n+1, n = 14, 16, 4) with N,N'-bidentate ligands of the type bis(4-n-alkyloxyphenyl)-1-(pyridin-2-yl)-1H-pyrazoI (pypz(R2)) in the presence of HBF4 gave rise to new dioxoborane derivatives [BF2(OOR2)](1-3) as major products. Compounds 1-3 were also isolated by reaction of [Pd(OOR2)(2)] and HBF4, as well as by reaction of the corresponding beta-diketones or sodium beta-diketonates with HBF4. The new oxoboranes [BF2(OOR2)] (1-3) showed intense yellow or blue luminescence in the solid state and in the solution, respectively. The X-ray structure of 3 containing the shortest chain (R = C6H4OC4H9) evidenced the chelating coordination of the beta-diketonate ligand to the acceptor BF2 group in a boron tetrahedral environment. The molecules were packed in layers showing weak C-(HF)-F-... bifurcated interactions, which were responsible for a bi-dimensional network. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2004.06.011

文献信息

• Reactivity of bis(long chain substituted β-diketonato)palladium(II) [Pd(OOR2)2] towards HBF4: formation of luminescent [BF2(OOR2)] derivatives. X-ray structure of [1,3-di(4-n-butoxyphenyl)propane-1,3-dionato]difluoroboron(III)
  作者：M.J. Mayoral、M. Cano、J.A. Campo、J.V. Heras、E. Pinilla、M.R. Torres

  DOI：10.1016/j.inoche.2004.06.011

  日期：2004.8

  Reactions of [Pd(OOR2)(2)] (OOR2 = 1,3-di(4-n-alkyloxyphenyl)propane-1,3-dionato; R = C6H4OCnH2n+1, n = 14, 16, 4) with N,N'-bidentate ligands of the type bis(4-n-alkyloxyphenyl)-1-(pyridin-2-yl)-1H-pyrazoI (pypz(R2)) in the presence of HBF4 gave rise to new dioxoborane derivatives [BF2(OOR2)](1-3) as major products. Compounds 1-3 were also isolated by reaction of [Pd(OOR2)(2)] and HBF4, as well as by reaction of the corresponding beta-diketones or sodium beta-diketonates with HBF4. The new oxoboranes [BF2(OOR2)] (1-3) showed intense yellow or blue luminescence in the solid state and in the solution, respectively. The X-ray structure of 3 containing the shortest chain (R = C6H4OC4H9) evidenced the chelating coordination of the beta-diketonate ligand to the acceptor BF2 group in a boron tetrahedral environment. The molecules were packed in layers showing weak C-(HF)-F-... bifurcated interactions, which were responsible for a bi-dimensional network. (C) 2004 Elsevier B.V. All rights reserved.