Ethyl 6-bromo-4'-hexadecyl-2,2'-bipyridine-4-carboxylate | 857053-81-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Ethyl 6-bromo-4'-hexadecyl-2,2'-bipyridine-4-carboxylate
• 英文别名: ethyl 2-bromo-6-(4-hexadecylpyridin-2-yl)pyridine-4-carboxylate
• CAS: 857053-81-7
• 化学式: C₂₉H₄₃BrN₂O₂
• 分子量: 531.6
• InChiKey: NTYLYYQJUXNYSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  34
• 可旋转键数：
  19
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Photosensitizing transition metal complex containing quaterpyridine and photovoltaic cell with the metal complex
  申请人：Islam Ashraful

  公开号：US20050139257A1

  公开（公告）日：2005-06-30

  A photosensitizer complex of formula (I) MLX 2 in which M is a transition metal selected from ruthenium, osmium, iron, rhenium and technetium; each X is a co-ligand independently selected from NCS − , Cl − , Br − , I − , CN − , H 2 O; pyridine unsubstituted or substituted by at least one group selected from vinyl, primary, secondary or tertiary amine, OH and C 1-30 alky, preferably NSC − and CN − . L is a tetradentate polypyridine ligand, carrying at least one carboxylic, phosphoric acid or a chelating group and one substituted or unsubstituted alkyl group having 1 to 50 carbon atoms, substituted or unsubstituted alkylamide group having 2 to 30 carbon atoms or substituted or unsubstituted aralkyl group having 7 to 50 carbon atoms. A dye-sensitized electrode includes a substrate having an electrically conductive surface, an oxide semiconductor film formed thereon, and the above sensitizer of formula (I) as specified above, supported on the film.

  公式（I）的光敏剂配合物为MLX2，其中M是从钌、锇、铁、锇和锝中选择的过渡金属；每个X是独立选择的NCS−、Cl−、Br−、I−、CN−、H2O的共配体；吡啶未取代或取代至少一个来自乙烯基、一级、二级或三级胺、OH和C1-30烷基的基团中的一个，优选为NSC−和CN−。L是四齿多吡啶配体，携带至少一个羧酸、磷酸或螯合基团和一个取代或未取代的烷基，其具有1到50个碳原子，取代或未取代的烷酰胺基团，其具有2到30个碳原子，或取代或未取代的芳基烷基基团，其具有7到50个碳原子。一种染料敏化电极包括具有电导表面的基底，其上形成氧化物半导体薄膜以及上述公式（I）所指定的敏化剂，支撑在薄膜上。