1-(4-n-butylphenyl)isoquinoline | 855532-93-3

• 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: 1-(4-n-butylphenyl)isoquinoline
• 英文别名: 1-(4-butylphenyl)isoquinoline
• CAS: 855532-93-3
• 化学式: C₁₉H₁₉N
• 分子量: 261.367
• InChiKey: YPIMNZDCIWSNOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(4-n-butylphenyl)isoquinoline 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以83 %的产率得到1-(4-butylphenyl)isoquinoline 2-oxide
  参考文献：
  名称：

  钯催化定向阻转选择性 C−H 碘化通过对映选择性去对称策略合成轴向手性联芳基 N-氧化物

  摘要：

  由N -苯甲酰基 - l -苯丙氨酸配位的 Pd(II)已被确定为一种高度对映选择性催化剂，可在室温下通过去对称化策略进行阻转选择性 C-H 碘化，提供各种轴向手性联芳基 N -氧化物的近对映体纯样品。机理研究揭示了导致高反应性和出色对映体控制的因素。

  DOI：

  10.1002/chem.202203051

文献信息

• Substituent effects of iridium complexes for highly efficient red OLEDs
  作者：Shinjiro Okada、Keiji Okinaka、Hironobu Iwawaki、Manabu Furugori、Masashi Hashimoto、Taihei Mukaide、Jun Kamatani、Satoshi Igawa、Akira Tsuboyama、Takao Takiguchi、Kazunori Ueno

  DOI：10.1039/b417058j

  日期：——

  This study reports substituent effects of iridium complexes with 1-phenylisoquinoline ligands. The emission spectra and phosphorescence quantum yields of the complexes differ from that of tris(1-phenylisoquinolinato-C2,N)iridium(iii)(Irpiq) depending on the substituents. The maximum emission peak, quantum yield and lifetime of those complexes ranged from 598-635 nm, 0.17-0.32 and 1.07-2.34 micros,

  这项研究报告了铱配合物与1-苯基异喹啉配体的取代作用。取决于取代基，配合物的发射光谱和磷光量子产率不同于三（1-苯基异喹啉基-C2，N）铱（iii）（Irpiq）。这些配合物的最大发射峰，量子产率和寿命分别为598-635 nm，0.17-0.32和1.07-2.34微米。这表明取代基的性质对激发态衰变的动力学有重大影响。连接在苯环上的取代基对HOMO的稳定性有影响。此外，对于最低激发态，那些取代基对3pi-pi *和（3）MLCT之间的混合贡献有作用。一些配合物显示出比Irpiq更大的量子产率，Irpiq的量子产率为0.22。基于三[1-（4-氟-5-甲基苯基）异喹啉基-C2，N]铱（iii）（Ir4F5Mpiq）的有机发光二极管（OLED）装置产生了15.5％的高外部量子效率和5％的功率效率在218 cd m（-2）的亮度下为12.4 lm W（-1）。器件的发射颜色接近NTSC规范，其CIE色度特性为（0
• ORGANIC ELECTROLUMINESCENCE DEVICE USING A COPOLYMER AND A PHOSPHORESCENT IRIDIUM COMPOUND
  申请人：SHOWA DENKO K.K.

  公开号：EP1915789B1

  公开（公告）日：2012-07-18
• Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof
  申请人：Chi Yun

  公开号：US20090209756A1

  公开（公告）日：2009-08-20

  The present invention discloses a phosphorescent tris-chelated transition metal complex comprising i) two identical carbon-nitrogen (ĈN) or nitrogen-nitrogen (N̂N) chromophoric ligands being incorporated into a coordination sphere thereof with a transition metal, and one carbon-phosphorus (ĈP) chelate being incorporated into the coordination sphere; or ii) one carbon-nitrogen (ĈN) or nitrogen-nitrogen (N̂N) chromophoric ligand forming a coordination sphere thereof with a transition metal, and two identical carbon-phosphorus (ĈP) chelates being incorporated into the coordination sphere, wherein the metal is iridium, platinum, osmium or ruthenium, and the chromophoric ligands possess a relatively lower energy gap in comparison with that of the non-chromophoric chelate, the latter afforded an effective barrier for inhibiting the ligand-to-ligand charge transfer process, so that bright phosphorescence can be observed. The architecture and energy gap of the present molecular designs are suitable for generation of high efficiency blue, green and even red emissions.
• ORGANIC ELECTROLUMINESCENCE DEVICE USING A COPOLYMER AND A PHOSPHORESCENT COMPOUND
  申请人：Yamaguchi Tetsuhiko

  公开号：US20090284133A1

  公开（公告）日：2009-11-19

  Disclosed is an organic electroluminescence device comprising one layer or two or more layers of organic layer sandwiched between an anode and a cathode wherein: at least one of the organic layers comprises a phosphorescent compound and a polymer; the polymer comprises a structural unit derived from a monomer represented by the following formula (1) and a structural unit derived from a monomer having heterocycle(s) containing two or more heteroatoms. (I) (In the formula, R 1 -R 27 each represents independently a hydrogen atom, a halogen atom, a cyano group, an amino group an alkyl group having 1 to 10 carbon atoms or an alkoxy group having 1 to 10 carbon atoms; within each of the groups R 1 -R 4 , R 5 -R 9 , R 10 -R 14 and R 15 -R 19 , two groups bonding to adjacent carbon atoms in a benzene ring may bond to each other forming a fused ring; X 1 represents a single bond, an oxygen atom (—O—), a sulfur atom (—S—), —SO—, —SO 2 —, —NR— (R represents a hydrogen atom, an alkyl group having 1 to 4 carbon atoms or a phenyl group), —CO— or a divalent organic group having 1 to 20 carbon atoms (the organic group may be substituted with an atom or a group selected from the group consisting of an oxygen atom (—O—), a sulfur atom (—S—), —SO—, —SO 2 —, —NR— (R represents a hydrogen atom, an alkyl group having 1 to 4 carbon atoms or a phenyl group) and —CO—); Y 1 represents a polymerizable functional group; and p represents 0 or 1.)
• Phosphorescent transition metal complex having a facially arranged carbon-phosphorus-carbon (C+e,cir +0 +ee P+e,cir +0 +ee C) tridentate chelate and organic light emitting diode containing the same
  申请人：Chi Yun

  公开号：US20110204770A1

  公开（公告）日：2011-08-25

  The present invention provides a series of phosphorescent transition metal complexes having a facially arranged, carbon-phosphorus-carbon (ĈP̂C) tridentate chelate, alone with one monoanionic bidentate chromophoric chelate (either ĈN or ÂN) and one arbitrary charge neutral chelate (L), or with one charge neutral bidentate chromophoric chelate (N̂N) and one arbitrary anionic ligand (X); all of them can be used to generate high efficiency photo-induced phosphorescence at room temperature, as well as bright electroluminescence upon employment of these materials in the fabrication of organic light-emitting devices.