2,5-Bis-(3,5-di-tert-butyl-benzyl)-3-[2',5'-dihexyl-4'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-biphenyl-4-yl]-6-phenyl-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione | 374934-78-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,5-Bis-(3,5-di-tert-butyl-benzyl)-3-[2',5'-dihexyl-4'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-biphenyl-4-yl]-6-phenyl-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione
• 英文别名: 2,5-Bis[(3,5-ditert-butylphenyl)methyl]-4-[4-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1-phenylpyrrolo[3,4-c]pyrrole-3,6-dione；2,5-bis[(3,5-ditert-butylphenyl)methyl]-4-[4-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1-phenylpyrrolo[3,4-c]pyrrole-3,6-dione
• CAS: 374934-78-8
• 化学式: C₇₂H₉₅BN₂O₄
• 分子量: 1063.37
• InChiKey: SENQIJKFORPTDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.3
• 重原子数：
  79
• 可旋转键数：
  22
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,6-Bis-(4-bromo-phenyl)-2,5-bis-(3,5-di-tert-butyl-benzyl)-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione 、 2,5-Bis-(3,5-di-tert-butyl-benzyl)-3-[2',5'-dihexyl-4'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-biphenyl-4-yl]-6-phenyl-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 甲苯 为溶剂， 生成 4-[4-[4-[4-[4-[4-[4-[4-[2,5-Bis[(3,5-ditert-butylphenyl)methyl]-3,6-dioxo-1-phenylpyrrolo[3,4-c]pyrrol-4-yl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-bis[(3,5-ditert-butylphenyl)methyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-bis[(3,5-ditert-butylphenyl)methyl]-1-phenylpyrrolo[3,4-c]pyrrole-3,6-dione
  参考文献：
  名称：

  Construction of rod-like diketopyrrolopyrrole oligomers with well-defined length

  摘要：

  Oligomers of well-defined length were prepared by a stepwise sequence of Suzuki couplings using brominated 1,4-dioxo-3,6-diphenylpyrrolo[3,4-c]pyrrole (DPP) derivatives and 1,4-dibromo-2,5-di-n-hexylbenzene as the monomers. The resulting oligomers contained three, five and seven DPP units, respectively, and could be characterized by H-1 NMR spectroscopy. These compounds could be of potential use as new electroluminescent materials. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01305-3
• 作为产物：
  描述：

  3,5-二叔丁基苄溴 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 甲苯 为溶剂， 生成 2,5-Bis-(3,5-di-tert-butyl-benzyl)-3-[2',5'-dihexyl-4'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-biphenyl-4-yl]-6-phenyl-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione
  参考文献：
  名称：

  Construction of rod-like diketopyrrolopyrrole oligomers with well-defined length

  摘要：

  Oligomers of well-defined length were prepared by a stepwise sequence of Suzuki couplings using brominated 1,4-dioxo-3,6-diphenylpyrrolo[3,4-c]pyrrole (DPP) derivatives and 1,4-dibromo-2,5-di-n-hexylbenzene as the monomers. The resulting oligomers contained three, five and seven DPP units, respectively, and could be characterized by H-1 NMR spectroscopy. These compounds could be of potential use as new electroluminescent materials. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01305-3

文献信息

• Construction of rod-like diketopyrrolopyrrole oligomers with well-defined length
  作者：Mario Smet、Bert Metten、Wim Dehaen

  DOI：10.1016/s0040-4039(01)01305-3

  日期：2001.9

  Oligomers of well-defined length were prepared by a stepwise sequence of Suzuki couplings using brominated 1,4-dioxo-3,6-diphenylpyrrolo[3,4-c]pyrrole (DPP) derivatives and 1,4-dibromo-2,5-di-n-hexylbenzene as the monomers. The resulting oligomers contained three, five and seven DPP units, respectively, and could be characterized by H-1 NMR spectroscopy. These compounds could be of potential use as new electroluminescent materials. (C) 2001 Elsevier Science Ltd. All rights reserved.