10-(diphenylamino)-6-methylpicen-3-yl trifluoromethanesulfonate | 1264757-20-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 10-(diphenylamino)-6-methylpicen-3-yl trifluoromethanesulfonate
• 英文别名: [6-methyl-10-(N-phenylanilino)picen-3-yl] trifluoromethanesulfonate
• CAS: 1264757-20-1
• 化学式: C₃₆H₂₄F₃NO₃S
• 分子量: 607.653
• InChiKey: QDIKMHCRQKFTTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  44
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  10-(diphenylamino)-6-methylpicen-3-yl trifluoromethanesulfonate 、 二苯胺 在 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 甲苯 为溶剂， 反应 32.5h， 以48%的产率得到6-methyl-3-N,3-N,10-N,10-N-tetraphenylpicene-3,10-diamine
  参考文献：
  名称：

  Ph₂N-Susbtituted Ethylene-Bridged p-Phenylene Oligomers: Synthesis and Photophysical and Redox Properties

  摘要：

  For a series of p-phenylene-based oligomers terminated with two triphenylamines, their absorption, photoluminescence, and band gaps show a pattern of extensive pi-conjugation with increasing array size. Oligomers with large central arrays have greater quantum yields than their small analogues. Cyclic voltammetric (CV) measurements indicated two-step oxidations of the two diphenylamino groups for compounds 1-5 and one-step oxidations for the two amines of large oligomers 6 and 7.

  DOI：

  10.1021/jo1020163
• 作为产物：
  描述：

  4-(二苯基氨基)苯硼酸频那醇酯 在 吡啶 、 4-二甲氨基吡啶 、 四(三苯基膦)钯 、 一氧化碳 、 四丁基氟化铵 、 palladium diacetate 、 三溴化硼 、 sodium carbonate 、 三苯基膦 、 platinum(II) chloride 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 二氯甲烷 、 水 、 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 69.5h， 生成 10-(diphenylamino)-6-methylpicen-3-yl trifluoromethanesulfonate
  参考文献：
  名称：

  Ph₂N-Susbtituted Ethylene-Bridged p-Phenylene Oligomers: Synthesis and Photophysical and Redox Properties

  摘要：

  For a series of p-phenylene-based oligomers terminated with two triphenylamines, their absorption, photoluminescence, and band gaps show a pattern of extensive pi-conjugation with increasing array size. Oligomers with large central arrays have greater quantum yields than their small analogues. Cyclic voltammetric (CV) measurements indicated two-step oxidations of the two diphenylamino groups for compounds 1-5 and one-step oxidations for the two amines of large oligomers 6 and 7.

  DOI：

  10.1021/jo1020163

文献信息

• Ph₂N-Susbtituted Ethylene-Bridged <i>p</i>-Phenylene Oligomers: Synthesis and Photophysical and Redox Properties
  作者：Balagopal Shainamma Shaibu、Sheng-Hsun Lin、Chi-Yen Lin、Ken-Tsung Wong、Rai-Shung Liu

  DOI：10.1021/jo1020163

  日期：2011.2.18

  For a series of p-phenylene-based oligomers terminated with two triphenylamines, their absorption, photoluminescence, and band gaps show a pattern of extensive pi-conjugation with increasing array size. Oligomers with large central arrays have greater quantum yields than their small analogues. Cyclic voltammetric (CV) measurements indicated two-step oxidations of the two diphenylamino groups for compounds 1-5 and one-step oxidations for the two amines of large oligomers 6 and 7.