2-benzo[b]thiophen-2-yl-4-methyl-pyridine | 473258-66-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 2-benzo[b]thiophen-2-yl-4-methyl-pyridine
• 英文别名: Hbtmp；2-(1-Benzothiophen-2-yl)-4-methylpyridine；2-(1-benzothiophen-2-yl)-4-methylpyridine
• CAS: 473258-66-1
• 化学式: C₁₄H₁₁NS
• 分子量: 225.314
• InChiKey: CVMKSWXKVQOGPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  iridium(III) chloride trihydrate 、 2-benzo[b]thiophen-2-yl-4-methyl-pyridine 以 乙二醇乙醚 、 水 为溶剂， 反应 8.0h， 生成 [(^Mebtp)₂IrCl]₂
  参考文献：
  名称：

  染料敏化的光催化CO2还原中辅助配体对杂化Ir（III）染料的影响：芳基联吡啶配体上电荷的光累积及其对催化性能的控制。

  摘要：

  在此，我们报告了一系列杂化Ir III光敏剂（IrPSs）[Ir（C ^ N）2（N ^ N Aryl）] +的合成，光化学和物理性质以及催化性能。具有在联吡啶单元[C ^ N =（2-吡啶基）苯并[ b ]噻吩-3-基（btp）上随芳基取代基而变化的辅助配体；N ^ N Aryl = 4,4'-Y 2 -bpy（Y = -Ph或-PhSi（Ph）3 ]。我们发现通过芳基取代作用使联吡啶配体的π延伸将联吡啶配体用作电子继电器单元在输送到催化中心之前进行了电荷积累，大大提高了整体CO2到CO转换活动。在典型的运行中，芳基取代的IRP（吨卜IRP-PH的Si）致敏均相体系（IRP的+回复我催化剂），得到1340（的转换数Φ CO = 24.2％）在光解的早期阶段（< 5小时）。这项研究表明辅助联吡啶配体上的π字符调制对于即将到来的催化性能至关重要。

  DOI：

  10.1002/chem.202002575

文献信息

• Tuning iridium(III) complexes containing 2-benzo[b]thiophen-2-yl-pyridine based ligands in the red region
  作者：MaoLiang Xu、GeYang Wang、Rui Zhou、ZhongWei An、Qun Zhou、WenLian Li

  DOI：10.1016/j.ica.2007.03.023

  日期：2007.7

  Synthesis and characterization of four iridium(III) complexes containing 2-benzo[b]thiophen-2-yl-pyridine based ligands are reported. The absorption, emission, electrochemistry, and thermostability of the complexes were systematically investigated. The (btmp)(2)Ir(acac) (btmp = 2-benzo[b]thiophen-2-yl-4-methyl-pyridyl, acac = acetyl acetone) was characterized using X-ray crystallography. Calculation on the electronic ground state for (btmp)(2)Ir(acac) was carried out using B3LYP density functional theory, HOMO levels are a mixture of Ir and btmp ligand orbitals, while the LUMO is predominantly btmp ligand based. Introduction of substituents (CH3, CF3) into pyridyl ring in a typical red emitter (btp)(2)Ir(acac) leads to a marked decrease in the sublimation temperature, which is more suitable for OLEDs process. Electrochemical studies showed that (btmp)(2)Ir(acac) has a slightly lower oxidation potential, but (btfmp)(2)Ir(acac), (btfmp)(2)Ir(dbm), and (btfmp)(2)Ir(pic) (btfmp = 2-benzo[b]thiophen-2-yl-5-trifluoromethyl-pyridine, dbm = dibenzoylmethane, pic = 2-picolinic acid) containing CF3 group are much difficult to oxidate than (btp)(2)Ir(acac). The emission characteristics of these complexes can be tuned by either changing the substituents and their position on 2-benzo[b]thiophen-2-yl-pyridine or using different monoanionic ligands, showing emission lambda(max) values from 604 to 638 nm in CH2Cl2 solution at room temperature. (c) 2007 Elsevier B.V. All rights reserved.
• AIR PURIFICATION
  申请人：Carlson William Brenden

  公开号：US20140212328A1

  公开（公告）日：2014-07-31

  Embodiments herein generally relate to the use, devices, and compounds for generating singlet oxygen. In some embodiments, the singlet oxygen can be used for fluid purification and/or sterilization.
• [EN] AIR PURIFICATION<br/>[FR] ÉPURATION DE L'AIR
  申请人：EMPIRE TECHNOLOGY DEV LLC

  公开号：WO2014018023A1

  公开（公告）日：2014-01-30

  Embodiments herein generally relate to the use, devices, and compounds for generating singlet oxygen. In some embodiments, the singlet oxygen can be used for fluid purification and/or sterilization.