1-(4-(tert-butyl)phenyl)isoquinoline | 525598-48-5

• 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-(tert-butyl)phenyl)isoquinoline
• 英文别名: 1-(4-tert-Butylphenyl)isoquinoline
• CAS: 525598-48-5
• 化学式: C₁₉H₁₉N
• 分子量: 261.367
• InChiKey: XJQOMQRTOSFGFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  20
• 可旋转键数：
  2
• 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-(tert-butyl)phenyl)isoquinoline 在 t-BuOK 作用下， 以 甲醇 、 乙二醇乙醚 、 二氯甲烷 、 水 为溶剂， 生成 [Bu4N][Pt(1-(4-tert-butylphenyl)isoquinoline(-1H))(1,2-benzenedithiolate)]
  参考文献：
  名称：

  Synthesis and Photophysical Properties of Cyclometalated Platinum(II) 1,2-Benzenedithiolate Complexes and Heterometallic Derivatives Obtained from the Addition of [Au(PCy₃)]⁺ Units

  摘要：

  The cyclometalated compounds [Pt(C boolean AND N)(HC boolean AND N)Cl] [HC boolean AND N = 2-phenylpyridine (Hppy; 1a), 1-(4-tertbutylphenyl)isoquinoline (Htbpiq; 1b)] react with 1,2-benzenedithiol, t-EuOK, and Bu4NCl in a 1:1:2:1 molar ratio in CH2Cl2/ MeOH to give the complexes Bu4N[Pt(CAN)(bdt)] [bdt = 1,2-benzenedithiolate; C boolean AND N = ppy (Bu(4)N(2)a), tbpiq (Bu(4)N(2)b)]. In the absence of Bu4NCl, the same reactions afford solutions of K2a and K2b, which react with [AuCl(PCy3)] to give the neutral heterometallic derivatives [Pt(C boolean AND N)(bdt){Au(PCy3)}] [C boolean AND N = ppy (3a), tbpiq (3b)]. The cationic derivatives [Pt(C boolean AND N)-(bdt){Au(PCy3)}(2)]ClO4 [C boolean AND N = ppy (4a), tbpiq (4b)J are obtained by reacting 3a and 3b with acetone solutions of [Au(OClO3)(PCy3)]. The crystal structures of 3b and 4b reveal the formation of short Pt center dot center dot center dot Au metallophilic contacts in the range 2.929-3.149 angstrom. Complexes 3b, 4a, and 4b undergo dynamic processes in solution that involve the migration of the [Au(PCy3)](+) units between the S atoms of the dithiolate. Complexes Bu(4)N2a and 2b display a moderately solvatochromic band in their electronic absorption spectra that can be ascribed to a transition of mixed ML'CT/LL'CT character (M= metal; L = bdt; L' = C boolean AND N; CT = charge transfer), while their emissions are assignable to transitions of the same orbital parentage but from triplet excited states. The sticcessive addition of [Au(PCy3)](+) units to the anions 2a and 2b results in an increase in the absorption and emission energies attributable to lower highest occupied molecular orbital energies. Additionally, the characteristics of the absorption and emission spectra of the heterometallic derivatives indicate a gradual loss of LL'CT character in the involved electronic transitions, with a concomitant increase of the L'C and ML'CT contributions.

  DOI：

  10.1021/ic202465k
• 作为产物：
  描述：

  1-溴异喹啉 、 4-叔丁基苯硼酸 在 四(三苯基膦)钯 、 1-氯异喹啉 、 sodium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 12.0h， 生成 1-(4-(tert-butyl)phenyl)isoquinoline
  参考文献：
  名称：

  可见光诱导的铑（I）催化的CH硼化反应。

  摘要：

  报道了有效的可见光诱导的铑（I）催化的芳香族CH键的区域选择性硼化。该光催化系统基于单个NHC-RhI络合物，该络合物既可以收集可见光，又可以在室温下破坏/形成键。NHC-羧酸盐配体的螯合性质对于确保RhI络合物的稳定性和提供出色的光催化活性至关重要。实验机理研究表明，用蓝色LED照射后，光氧化邻位CH键会加成，从而生成环金属化的RhIII氢化物中间体。

  DOI：

  10.1002/anie.201905924

文献信息

• METHOD FOR PRODUCING CYCLOMETALATED IRIDIUM COMPLEX
  申请人：TANAKA KIKINZOKU KOGYO K.K.

  公开号：US20180362565A1

  公开（公告）日：2018-12-20

  The present invention provides a method for producing a cyclometalated iridium complex by use of a non-chlorine iridium raw material. The method for producing a cyclometalated iridium complex includes producing a cyclometalated iridium complex by reacting a raw material including an iridium compound with an aromatic heterocyclic bidentate ligand capable of forming an iridium-carbon bond, the raw material being non-halogenated iridium having a conjugated base of a strong acid as a ligand. Here, the non-halogenated iridium is preferably one containing a conjugated base of a strong acid having a pKa of 3 or less as a ligand.

  本发明提供了一种利用非氯化铱原料生产环金属化铱配合物的方法。生产环金属化铱配合物的方法包括通过将包含铱化合物的原料与能够形成铱-碳键的芳香杂环双齿配体反应来生产环金属化铱配合物，所述原料是非卤化铱，其具有强酸的共轭碱作为配体。在这里，非卤化铱最好是含有pKa值为3或更低的强酸的共轭碱作为配体的铱。
• Red emitter complexes of IR(III) and devices made with such compounds
  申请人：Herron Norman

  公开号：US20070278936A1

  公开（公告）日：2007-12-06

  There are provided compounds of Formulae I and II: where: n is 1, 2 or 3; p is 0, 1 or 2; the sum of n +p is 3; R 1 R 2 , R 3 and R 4 are each independently H, F, alkyl, trialkylsilyl, triarylsilyl, aryl or substituted aryl. R 5 and R 7 are each independently alkyl or aryl; and R 6 is H or alkyl. R 8 is H, F, or alkyl There are also provided electronic devices containing such compounds.

  提供了以下式I和II的化合物：其中：n为1、2或3；p为0、1或2；n + p的和为3；R1、R2、R3和R4分别独立地为H、F、烷基、三烷基硅基、三芳基硅基、芳基或取代芳基；R5和R7分别独立地为烷基或芳基；R6为H或烷基；R8为H、F或烷基。还提供了含有这些化合物的电子器件。
• Directed <i>ortho</i> C–H borylation catalyzed using Cp*Rh(<scp>iii</scp>)–NHC complexes
  作者：Jompol Thongpaen、Thibault E. Schmid、Loic Toupet、Vincent Dorcet、Marc Mauduit、Olivier Baslé

  DOI：10.1039/c8cc03144d

  日期：——

  bidentate NHC-carboxylate ligands were efficiently synthesized and fully characterized including solid-state structures. These unprecedented rhodium(III) complexes demonstrated high selectivity in pyridine-directed ortho-C–H borylation of arenes under mild conditions.

  Cp * Rh（NHC）配合物与庞大的手性双齿NHC-羧酸盐配体有效地合成和充分表征，包括固态结构。这些空前的铑（III）配合物在温和条件下在吡啶定向的芳烃邻位C-H硼酸酯化反应中显示出很高的选择性。
• ハロゲン架橋イリジウムダイマーの製造方法
  申请人：国立研究開発法人産業技術総合研究所

  公开号：JP2017226633A

  公开（公告）日：2017-12-28

  【課題】ハロゲン架橋イリジウムダイマーの製造方法を提供。【解決手段】式（１）で表されるイリジウム化合物と芳香族２座配位子とを溶媒中で反応する製造方法。【選択図】なし

  【问题】提供了一种制备卤素交联的铱二聚体的方法。【解决方法】在溶剂中使式（1）所表示的铱化合物与芳香族二座配体反应的制造方法。【选择图】无
• New red phosphorescent iridium(III) complex with 4-tert-Butylphenyl-boronic acid of organic borane
  作者：Sang-Wook Lee、Dong-Myung Shin

  DOI：10.1080/15421406.2016.1200946

  日期：2016.9

  iridium(III) complexes attract enormous attention because they allow highly efficient electro phosphorescence. The donor-acceptor type ligands for the Iridium(III) complexes were synthesized by Suzuki coupling reaction. The ligands through changes in oxidative addition materials (electron-acceptor) and organic borane (electron-donor) to get the red color were to study the appropriate Iridium(III) complexes

  摘要 合成了一种用于有机发光二极管 (OLED) 的新型磷光 (CQ-BP)2Ir(acac)、(CMQ-BP)2Ir(acac)、(BQ-BP)2Ir(acac)。使用磷光铱 (III) 配合物的 OLED 引起了极大的关注，因为它们可以实现高效的电磷光。铱（III）配合物的供体-受体型配体通过铃木偶联反应合成。配体通过改变氧化加成材料（电子受体）和有机硼烷（电子供体）而得到红色，以研究合适的铱（III）配合物。使用氧化加成材料，例如2-氯-4-甲基喹啉、1-氯异喹啉和2-溴喹啉。4-叔丁基苯基硼酸用作有机硼烷。掺杂剂通过野山反应合成。观察到红色掺杂剂在大约 600 nm 处具有发射峰。通过核磁共振 (NMR)、紫外-可见光谱和光致发光 (PL) 测量铱 (III) 配合物。磷光发射最大值取决于配体的供体和受体部分的电子密度。