9-苯基-9H-咔唑-3,6-二硼酸二频哪醇酯 | 618442-57-2

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 9-苯基-9H-咔唑-3,6-二硼酸二频哪醇酯
• 中文别名: 9-苯基咔唑-3,6-二硼酸频那醇酯；9-苯基-3,6-二(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)-9氢-咔唑
• 英文名称: 9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
• 英文别名: 9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• CAS: 618442-57-2
• 化学式: C₃₀H₃₅B₂NO₄
• 分子量: 495.234
• InChiKey: BMKVLWGCSCKZTD-UHFFFAOYSA-N

物化性质

• 熔点：
  238.0 to 242.0 °C
• 沸点：
  587.8±43.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.38
• 重原子数：
  37
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  41.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  9-苯基-9H-咔唑-3,6-二硼酸二频哪醇酯 在 四(三苯基膦)钯 、 正丁基锂 、 三叔丁基膦 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 反应 61.0h， 生成 (2-{6-[2-(Hydroxy-di-p-tolyl-methyl)-phenyl]-9-phenyl-9H-carbazol-3-yl}-phenyl)-di-p-tolyl-methanol
  参考文献：
  名称：

  Syntheses and Structures of Novel Heteroarene-Fused Coplanar π-Conjugated Chromophores

  摘要：

  We have synthesized a series of novel coplanar chromophores in which heteroarenes, namely, thiophene, benzothiophene, and carbazole, were fused to neighboring phenylene ring(s) through intramolecular annulation via sp(3)-hybridized carbon atoms bearing two p-tolyl groups as peripheral substituents. The molecular configurations of the d-conjugated backbones were determined by X-ray crystallographic analysis; the heteroarene-fused molecular frameworks of these novel molecules exhibit nearly coplanar conformations.

  DOI：

  10.1021/ol061791y
• 作为产物：
  描述：

  异丙醇频哪醇硼酸酯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.33h， 生成 9-苯基-9H-咔唑-3,6-二硼酸二频哪醇酯
  参考文献：
  名称：

  Electroactive polymers

  摘要：

  本发明揭示了用于制造这种聚合物的电活性聚合物芳烃和中间体。本发明还提供包含这些电活性聚合物芳烃的电活性组合物，包括这些聚合物和组合物的有机电子器件，以及制造这些器件的方法。

  公开号：

  US07094902B2

文献信息

• 유기발광 화합물 및 이를 포함하는 유기전계발광소자
  申请人：PnH tech (주)피엔에이치테크(120100135796) Corp. No ▼ 131111-0237931BRN ▼129-86-36614

  公开号：KR20150133097A

  公开（公告）日：2015-11-27

  본 발명은 유기전계발광소자에 채용되는 유기발광 화합물에 관한 것으로서, 하기 [화학식 1]로 표시되고, 하기 [구조식 1] 또는 [구조식 2]로 표시되는 치환체로 하나 이상 갖는 것을 특징으로 하고, 이를 정공수송 기능층 또는 발광층 내의 인광 호스트 화합물로 채용하는 경우 구동전압, 휘도 및 장수명 등의 발광특성이 우수한 유기전계발광소자를 구현할 수 있다. [화학식 1] [구조식 1] [구조식 2]

  本发明涉及用于有机电致发光器件的有机发光化合物，该化合物由下式[化学式1]表示，其特征在于具有以下[结构式1]或[结构式2]表示的一个或多个取代基，当其作为光传输功能层或发光层内的荧光主机化合物使用时，可以实现驱动电压，亮度和长寿命等发光性能优异的有机电致发光器件。[化学式1] [结构式1] [结构式2]
• A carbazole–phenylbenzimidazole hybrid bipolar universal host for high efficiency RGB and white PhOLEDs with high chromatic stability
  作者：Wen-Yi Hung、Liang-Chen Chi、Wei-Jiun Chen、Ejabul Mondal、Shu-Hua Chou、Ken-Tsung Wong、Yun Chi

  DOI：10.1039/c1jm14029a

  日期：——

  A novel bipolar molecule CNBzIm comprised of electron-donating carbazole and electron-accepting phenylbenzimidazole is designed, synthesized and characterized for RGB phosphorescent organic light emitting diodes (PhOLEDs). CNBzIm exhibits promising properties such as high triplet energy (ET = 2.71 eV) due to disrupted π-conjugation, bipolar and balanced charge transport ability (μh ≈ μe ≈ 10−5 cm2 V−1s−1), and high morphological stability (Tg = 185 °C). PhOLEDs adopted CNBzIm as a host respectively doped with Os(bpftz)2(PPh2Me)2, (PPy)2Ir(acac) and FIrpic under the same device structure show excellent performance with external quantum efficiencies (ηext) as high as 19.1% for red, 17.8% for green, and 12.7% for blue. A two-color, all-phosphor and single-emitting-layer WOLED hosted by CNBzIm was achieved with a maximum ηext of 15.7%, current efficiency (ηc) of 35 cd A−1, and power efficiency (ηp) of 36.6 lm W−1. Utilizing a bipolar host with balanced mobilities, WOLED can effectively broaden its recombination zone and show high color stability. The Commission Internationale de L'Eclairage (CIE) coordinates of the WOLED remain almost constant when the brightness goes from 1700 cd m−2 (0.32, 0.41) to 49 900 cd m−2 (0.31, 0.41).

  设计、合成并表征了一种新颖的双极性分子CNBzIm，它由电子供体咔唑和电子受体苯并苯并咪唑组成，用于RGB磷光有机发光二极管（PhOLEDs）。CNBzIm具有良好的性质，如由于π共轭断开而具有高三重态能量（ET = 2.71 eV），双极性和平衡的电荷传输能力（μh ≈ μe ≈ 10^-5 cm^2 V^-1s^-1），以及高形态稳定性（Tg = 185°C）。采用CNBzIm作为主体，分别掺杂Os(bpftz)2(PPh2Me)2、(PPy)2Ir(acac)和FIrpic，在相同器件结构下显示出色的性能，外部量子效率（ηext）高达19.1%（红色）、17.8%（绿色）和12.7%（蓝色）。实现了一种双色、全磷光和单发射层的WOLED，其最大ηext为15.7%，电流效率（ηc）为35 cd A^-1，功率效率（ηp）为36.6 lm W^-1。利用具有平衡迁移率的双极性主体，WOLED可以有效扩大其复合区域并显示出高色稳定性。当亮度从1700 cd m^-2（0.32, 0.41）变化到49,900 cd m^-2（0.31, 0.41）时，国际照明委员会（CIE）坐标几乎保持不变。
• 피리미딘계 작용기 함유 단분자 화합물, 상기 화합물의 광가교물을 포함한 유기물층 및 이를 포함하는 유기전자소자
  申请人：KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY 한국생산기술연구원(319999029382) BRN ▼119-82-01008

  公开号：KR20200069184A

  公开（公告）日：2020-06-16

  본 발명에서는 하기 화학식 I로 표시되는 피리미딘계 작용기 함유 단분자 화합물이 유기전자소자의 유기물층 소재로 제공되며, 상기 화합물은 상온에서의 광경화에 의해 짧은 시간에 유기물층으로 형성될 수 있다: [화학식 I] Ar-(R-R-Py)n 상기 화학식 I에서, n은 2 내지 10이고, Ar은 n차 연결기를 갖는 치환 또는 비치환된 C-C아릴기 또는 치환 또는 비치환된 C-C헤테로아릴기이고, R 및 R는 각각 독립적으로, 단순결합, -O-, 치환 또는 비치환된 C-C아릴렌기, 치환 또는 비치환된 C-C헤테로아릴렌기, 치환 또는 비치환된 C-C 알킬렌기, 치환 또는 비치환된 C-C 알콕실렌기, 치환 또는 비치환된 아미드기, 또는 치환 또는 비치환된 아민기이고, Py은 피리미딘계 작용기로부터 유래된 1가 연결기이다.

  本发明提供了一种包含被表示为化学式I的嘧啶类作用基的单分子化合物作为有机电子器件的有机层材料，该化合物可以在室温下通过光聚合在短时间内形成有机层：[化学式I] Ar-(R-R-Py)n 在上述化学式I中，n为2到10，Ar是具有n次连接基的取代或未取代的C-C芳基或取代或未取代的C-C杂环芳基，R和R分别独立地是单键，-O-，取代或未取代的C-C芳基，取代或未取代的C-C杂环芳基，取代或未取代的C-C烷基，取代或未取代的C-C醇基，取代或未取代的酰胺基，或取代或未取代的胺基，Py是源自嘧啶类作用基的1价连接基。
• Electron transport agents for organic electronic devices
  申请人：3M Innovative Properties Company

  公开号：US07271406B2

  公开（公告）日：2007-09-18

  Compounds and compositions are provided that can be used as electron transport agents in organic electronic devices such as organic electroluminescent devices. The compounds are non-polymeric and have an aromatic core conjugated to end capping groups. The aromatic core contains a phenylene group arylene or naphthalene group arylene having a pendant heteroaryl group that includes a —C═N— unit.

  提供了可用作有机电子器件中的电子传输剂的化合物和组合物。这些化合物是非聚合物，并且具有与末端帽基共轭的芳香核心。芳香核心包含一个苯基芳基或萘基芳基，具有一个包括—C═N—单元的异芳基团。
• CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME, AND ELECTRONIC DEVICE INCLUDING ORGANIC LIGHT-EMITTING DEVICE
  申请人：SAMSUNG ELECTRONICS CO., LTD.

  公开号：US20200377490A1

  公开（公告）日：2020-12-03

  Provided are a condensed cyclic compound, an organic light-emitting device including the condensed cyclic compound, and an electronic device including the organic light-emitting device. The condensed cyclic compound is represented by Formula 1, wherein R 12 is a group represented by Formula 2-1 and R 13 is a group represented by Formula 2-2.

  提供的是一种简化的环状化合物，包括该简化的环状化合物的有机发光器件，以及包括该有机发光器件的电子设备。所述简化的环状化合物由化学式1表示，其中R12是由化学式2-1表示的基团，R13是由化学式2-2表示的基团。