2,2-dimethyl-1,3-propanediol 4-bis(4-tert-butylphenylamino)phenylboronate | 1415100-81-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,2-dimethyl-1,3-propanediol 4-bis(4-tert-butylphenylamino)phenylboronate
• CAS: 1415100-81-0
• 化学式: C₃₁H₄₀BNO₂
• 分子量: 469.475
• InChiKey: WXWJWPYVPQNPAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.52
• 重原子数：
  35.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  21.7
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-1,3-propanediol 4-bis(4-tert-butylphenylamino)phenylboronate 、 3,6-二溴菲醌 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 16.0h， 以80%的产率得到3,6-bis[4-bis(4-tert-butylphenyl)aminophenyl]-9,10-phenanthrenequinone
  参考文献：
  名称：

  Self-assembled triphenylamine-hexaazatriphenylene two-photon absorption dyes

  摘要：

  This paper reports the self-assembling and two-photon absorption natures of donor acceptor molecules, tri(phenanthro)hexaazatriphenylene (TPHAT-C) and tri(phenanthrolino)hexaazatriphenylene (TPHAT-N), bearing six electron-donating moieties. In the H-1 NMR spectra, a line-broadening effect, arising from self-assembled aggregation was observed. Several hundred nanometer scale aggregates were detected in dynamic light scattering. The one-dimensional aggregation of the TPHAT molecules was indicated by the concentration dependence in UV/vis one-photon absorption and one-photon excited fluorescence spectroscopies. An enhancement of the two-photon absorption cross-section was observed in the self-assembled TPHAT system. The order of the two-photon absorption nature is in agreement with the order of the aggregative nature. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.10.070
• 作为产物：
  描述：

  4-叔丁基-N-(4-叔丁基苯基)-N-苯基苯胺 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2,2-dimethyl-1,3-propanediol 4-bis(4-tert-butylphenylamino)phenylboronate
  参考文献：
  名称：

  Self-assembled triphenylamine-hexaazatriphenylene two-photon absorption dyes

  摘要：

  This paper reports the self-assembling and two-photon absorption natures of donor acceptor molecules, tri(phenanthro)hexaazatriphenylene (TPHAT-C) and tri(phenanthrolino)hexaazatriphenylene (TPHAT-N), bearing six electron-donating moieties. In the H-1 NMR spectra, a line-broadening effect, arising from self-assembled aggregation was observed. Several hundred nanometer scale aggregates were detected in dynamic light scattering. The one-dimensional aggregation of the TPHAT molecules was indicated by the concentration dependence in UV/vis one-photon absorption and one-photon excited fluorescence spectroscopies. An enhancement of the two-photon absorption cross-section was observed in the self-assembled TPHAT system. The order of the two-photon absorption nature is in agreement with the order of the aggregative nature. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.10.070