3,7-dibromo-10-octadecyl-10H-phenothiazine-5,5-dioxide | 1451869-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 3,7-dibromo-10-octadecyl-10H-phenothiazine-5,5-dioxide
• 英文别名: 3,7-Dibromo-10-octadecylphenothiazine 5,5-dioxide；3,7-dibromo-10-octadecylphenothiazine 5,5-dioxide
• CAS: 1451869-80-9
• 化学式: C₃₀H₄₃Br₂NO₂S
• 分子量: 641.551
• InChiKey: GWTPGQUZIWJQCO-UHFFFAOYSA-N

物化性质

• 沸点：
  684.0±55.0 °C(predicted)
• 密度：
  1.288±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  36
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-噻吩硼酸 、 3,7-dibromo-10-octadecyl-10H-phenothiazine-5,5-dioxide 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 26.0h， 以72%的产率得到10-octadecyl-3,7-di(thiophen-2-yl)-10H-phenothiazine-5,5-dioxide
  参考文献：
  名称：

  Synthesis and Characterization of 2-Alkylbenzotriazole-Based Donor-π-Acceptor-Type Copolymers

  摘要：

  Four donor-pi-acceptor-type copolymers were synthesized via palladium-catalyzed Sonogashira coupling reaction. The resulting donor-pi-acceptor-conjugated copolymers can show fluorescence emission in the range of lambda = 473-568 nm, and the band gaps of the alternating polymers can be tuned in the range 3.09-3.74 eV by using four different donors.

  DOI：

  10.1055/s-0033-1339177
• 作为产物：
  描述：

  3,7-dibromo-10-octadecyl-10H-phenothiazine 在 双氧水 、 溶剂黄146 作用下， 以90%的产率得到3,7-dibromo-10-octadecyl-10H-phenothiazine-5,5-dioxide
  参考文献：
  名称：

  Synthesis and Characterization of 2-Alkylbenzotriazole-Based Donor-π-Acceptor-Type Copolymers

  摘要：

  Four donor-pi-acceptor-type copolymers were synthesized via palladium-catalyzed Sonogashira coupling reaction. The resulting donor-pi-acceptor-conjugated copolymers can show fluorescence emission in the range of lambda = 473-568 nm, and the band gaps of the alternating polymers can be tuned in the range 3.09-3.74 eV by using four different donors.

  DOI：

  10.1055/s-0033-1339177

文献信息

• Synthesis and Characterization of 2-Alkylbenzotriazole-Based Donor-π-Acceptor-Type Copolymers
  作者：Yixiang Cheng、Chengjian Zhu、Xuerong Mao、Xiaoxiang Jiang、Hongwen Hu

  DOI：10.1055/s-0033-1339177

  日期：——

  Four donor-pi-acceptor-type copolymers were synthesized via palladium-catalyzed Sonogashira coupling reaction. The resulting donor-pi-acceptor-conjugated copolymers can show fluorescence emission in the range of lambda = 473-568 nm, and the band gaps of the alternating polymers can be tuned in the range 3.09-3.74 eV by using four different donors.