3,10-Ditert-butyl-5,12-bis(4-tert-butylphenyl)-6,13-dinaphthalen-1-ylnaphtho[1,2-b]phenanthrene | 1189562-03-5

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 3,10-Ditert-butyl-5,12-bis(4-tert-butylphenyl)-6,13-dinaphthalen-1-ylnaphtho[1,2-b]phenanthrene
• CAS: 1189562-03-5
• 化学式: C₇₀H₆₆
• 分子量: 907.294
• InChiKey: SSXXVJHWKGSEGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.6
• 重原子数：
  70
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3,10-Ditert-butyl-5,12-bis(4-tert-butylphenyl)-6,13-dinaphthalen-1-ylnaphtho[1,2-b]phenanthrene 在 iron(III) chloride 作用下， 以69%的产率得到17,37-Ditert-butyl-14,34-bis(4-tert-butylphenyl)undecacyclo[20.18.1.12,13.03,12.06,11.015,20.023,32.026,31.033,41.035,40.021,42]dotetraconta-1,3(12),4,6,8,10,13,15(20),16,18,21(42),22(41),23(32),24,26,28,30,33,35(40),36,38-henicosaene
  参考文献：
  名称：

  Efficient Synthesis and Characterization of Dibenzo[a,m]rubicenes and Tetrabenzo[a,f,r,m]rubicenes

  摘要：

  We report an efficient synthesis of dibenzo[a,m]rubicenes and tetrabenzo[a,f,r,m]rubicenes involving ICL-mediated benzannulation of 1,4-diphenyl-2,5-dialkynylbenzene 5 as the key step. Preliminary data on the photophysical properties of these new indeno-PAHs are reported.

  DOI：

  10.1021/jo9015437
• 作为产物：
  描述：

  3,10-di(tert-butyl)-5,12-di[4-(tert-butyl)phenyl]-6,13-diiododibenzo[a,h]anthracene 、 1-萘硼酸 在 1,1'-bis(diphenylphosphino)ferrocene 、 palladium diacetate 、 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 以73%的产率得到3,10-Ditert-butyl-5,12-bis(4-tert-butylphenyl)-6,13-dinaphthalen-1-ylnaphtho[1,2-b]phenanthrene
  参考文献：
  名称：

  Efficient Synthesis and Characterization of Dibenzo[a,m]rubicenes and Tetrabenzo[a,f,r,m]rubicenes

  摘要：

  We report an efficient synthesis of dibenzo[a,m]rubicenes and tetrabenzo[a,f,r,m]rubicenes involving ICL-mediated benzannulation of 1,4-diphenyl-2,5-dialkynylbenzene 5 as the key step. Preliminary data on the photophysical properties of these new indeno-PAHs are reported.

  DOI：

  10.1021/jo9015437

文献信息

• Efficient Synthesis and Characterization of Dibenzo[<i>a</i>,<i>m</i>]rubicenes and Tetrabenzo[<i>a</i>,<i>f</i>,<i>r</i>,<i>m</i>]rubicenes
  作者：Hung-Hung Hseuh、Ming-Yu Hsu、Tien-Lin Wu、Rai-Shung Liu

  DOI：10.1021/jo9015437

  日期：2009.11.6

  We report an efficient synthesis of dibenzo[a,m]rubicenes and tetrabenzo[a,f,r,m]rubicenes involving ICL-mediated benzannulation of 1,4-diphenyl-2,5-dialkynylbenzene 5 as the key step. Preliminary data on the photophysical properties of these new indeno-PAHs are reported.