4-[4-[2-[5-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline | 1388722-77-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[4-[2-[5-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
• CAS: 1388722-77-7
• 化学式: C₅₉H₅₂BF₆NO₂S₂
• 分子量: 996.001
• InChiKey: HVKYDHCRBHCHTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.44
• 重原子数：
  71
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  78.2
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  4-[4-[2-[5-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline 生成 4-[14-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-8,8,9,9,10,10-hexafluoro-1,2-dimethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline
  参考文献：
  名称：

  A Triarylamine–Triarylborane Dyad with a Photochromic Dithienylethene Bridge

  摘要：

  A molecular triad composed of a triarylamine donor, a triarylborane acceptor, and a photoisomerizable dithienylethene bridge has been synthesized and explored by cyclic voltammetry, UV-vis, and luminescence spectroscopy. The effects of irradiation with UV light and fluoride addition on the electrochemical and optical spectroscopic properties of the donor-bridge-acceptor molecule were investigated. Photoisomerization of the dithienylethene bridge affects the triarylboron reduction potential, but not the triarylamine oxidation potential. UV-vis experiments reveal that the association constant for fluoride binding at the triarylborane site is independent of the isomerization state of the bridge. Irradiation of a THF solution of our donor-bridge-acceptor molecule with UV light, followed by F- addition, leads to a different color of the sample than UV irradiation alone or F- addition alone.

  DOI：

  10.1021/jo301083a
• 作为产物：
  描述：

  p-bromophenyldimesitylborane 在 bis-triphenylphosphine-palladium(II) chloride 、 四(三苯基膦)钯 、 sodium acetate 、 sodium carbonate 作用下， 以 四氢呋喃 、 PEG600 、 水 为溶剂， 反应 4.0h， 生成 4-[4-[2-[5-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
  参考文献：
  名称：

  A Triarylamine–Triarylborane Dyad with a Photochromic Dithienylethene Bridge

  摘要：

  A molecular triad composed of a triarylamine donor, a triarylborane acceptor, and a photoisomerizable dithienylethene bridge has been synthesized and explored by cyclic voltammetry, UV-vis, and luminescence spectroscopy. The effects of irradiation with UV light and fluoride addition on the electrochemical and optical spectroscopic properties of the donor-bridge-acceptor molecule were investigated. Photoisomerization of the dithienylethene bridge affects the triarylboron reduction potential, but not the triarylamine oxidation potential. UV-vis experiments reveal that the association constant for fluoride binding at the triarylborane site is independent of the isomerization state of the bridge. Irradiation of a THF solution of our donor-bridge-acceptor molecule with UV light, followed by F- addition, leads to a different color of the sample than UV irradiation alone or F- addition alone.

  DOI：

  10.1021/jo301083a