4,6-diphenylpyrimidine | 3977-48-8

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4,6-diphenylpyrimidine
• 英文别名: 2,4,-diphenylpyrimidine；4,6-diphenyl pyrimidine；4,6-Diphenylpyrimidin；4,6-diphenyl-pyrimidine；4,6-Diphenyl-pyrimidin
• CAS: 3977-48-8
• 化学式: C₁₆H₁₂N₂
• 分子量: 232.285
• InChiKey: BWRMZQGIDWILAU-UHFFFAOYSA-N

物化性质

• 熔点：
  102-103 °C
• 沸点：
  180-190 °C(Press: 0.01 Torr)
• 密度：
  1.125±0.06 g/cm3(Predicted)
• 溶解度：
  4.6 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  4,6-diphenylpyrimidine 在 LiCl 、 sodium methoxide 作用下， 以 甲醇 为溶剂， 生成 (μ-4,6-diphenylpyrimidine-C2,N1:N3,C2)bis{(acetylacetonato)palladium(II)}
  参考文献：
  名称：

  Cyclometallated compounds IV. Cyclopalladation of phenylpyrimidines and X-ray structure of a doubly cyclopalladated derivative of 4,6-diphenylpyrimidine

  摘要：

  DOI：

  10.1016/0022-328x(90)80223-m
• 作为产物：
  描述：

  4-(3-bromophenyl)pyrimidine 在 potassium permanganate 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.5h， 生成 4,6-diphenylpyrimidine
  参考文献：
  名称：

  Muke, Bernd; Kauffmann, Thomas, Chemische Berichte, 1980, vol. 113, # 8, p. 2739 - 2748

  摘要：

  DOI：

文献信息

• [EN] BISIMIDAZOLODIAZOCINES<br/>[FR] BIS-IMIDAZOLO-DIAZOCINES
  申请人：IDEMITSU KOSAN CO

  公开号：WO2016125110A1

  公开（公告）日：2016-08-11

  The present invention relates to an organic electronic device, preferably an OLED, comprising a Bisimidazolodiazocine of formula (I) charge transport layer, a charge/exciton blocker layer, or an emitting layer comprising the Bisimidazolodiazocine; an apparatus selected from the group consisting of stationary visual display units; mobile visual display units; illumination units; keyboards; items of clothing; furniture; wallpaper, comprising the inventive organic electronic device, or the inventive charge transport layer, the charge/exciton blocker layer, or the emitting layer; the use of the Bisimidazolodiazocines for electrophotographic photoreceptors, photoelectric converters, organic solar cells, switching elements, organic light emitting field effect transistors, image sensors, dye lasers and electroluminescent devices; a process for the production of the Bisimidazolodiazocines and specific Bisimidazolodiazocines..

  本发明涉及一种有机电子器件，优选为OLED，包括式(I)的双咪唑二唑啉的电荷传输层，电荷/激子阻挡层，或包括双咪唑二唑啉的发射层；选自固定视觉显示单元组、移动视觉显示单元、照明单元、键盘、服装、家具、墙纸的装置，包括所述创新的有机电子器件，或创新的电荷传输层、电荷/激子阻挡层或发射层；双咪唑二唑啉用于电子照相感光鼓、光电转换器、有机太阳能电池、开关元件、有机发光场效应晶体管、图像传感器、染料激光器和电致发光器件的用途；一种生产双咪唑二唑啉和特定双咪唑二唑啉的方法。
• Aryl-aryl bonds formation in pyridine and diazine series. Diazines part 41
  作者：Ludovic Boully、Alain Turck、Nelly Plé、Mircea Darabantu

  DOI：10.1002/jhet.5570420726

  日期：2005.11

  The synthesis of several symmetrical polyaromatic compounds with pyridine or diazine units has been achieved by homocoupling of aryl halides with Pd(OAc)2 as catalyst. Cross-coupling reactions of aryl Grignard reagents with Fe(acac)3 as catalyst allowed the synthesis of various unsymmetrical polyaryl- or polyheteroaryl compounds with TTπ-deficient rings.

  通过将芳基卤化物与Pd（OAc）2作为催化剂进行均偶联，可以合成具有吡啶或二嗪单元的几种对称的多芳族化合物。芳基格氏试剂与Fe（acac）3作为催化剂的交叉偶联反应可以合成具有TTπ缺陷环的各种不对称聚芳基或聚杂芳基化合物。
• Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device
  申请人：Inoue Hideko

  公开号：US20120098417A1

  公开（公告）日：2012-04-26

  Provided is a novel substance that can emit phosphorescence. Alternatively, provided is a novel substance with high emission efficiency. An organometallic complex in which a 4-arylpyrimidine derivative is a ligand and iridium is a central metal is provided. Specifically, an organometallic complex having a structure represented by a general formula (G1) is provided. In the general formula (G1), R 1 represents a substituted or unsubstituted alkyl group having 1 to 4 carbon atoms or a substituted or unsubstituted aryl group having 6 to 10 carbon atoms, R 2 represents any of hydrogen, a substituted or unsubstituted alkyl group having 1 to 4 carbon atoms, and a substituted or unsubstituted phenyl group, R 3 represents hydrogen or a substituted or unsubstituted alkyl group having 1 to 4 carbon atoms, and Ar 1 represents a substituted or unsubstituted arylene group having 6 to 10 carbon atoms.

  提供了一种可以发射磷光的新型物质。或者，提供了一种具有高发射效率的新型物质。提供了一种有机金属配合物，其中4-芳基嘧啶衍生物是配体，镭是中心金属。具体地，提供了一种具有通用式（G1）表示的结构的有机金属配合物。在通用式（G1）中，R1代表具有1至4个碳原子的取代或未取代的烷基基团或具有6至10个碳原子的取代或未取代的芳基基团，R2代表氢、具有1至4个碳原子的取代或未取代的烷基基团，以及取代或未取代的苯基，R3代表氢或具有1至4个碳原子的取代或未取代的烷基基团，Ar1代表具有6至10个碳原子的取代或未取代的芳烃基团。
• Biphenyl-Based Diaminophosphine Oxides as Air-Stable Preligands for the Nickel-Catalyzed Kumada-Tamao-Corriu Coupling of Deactivated Aryl Chlorides, Fluorides, and Tosylates
  作者：Zhong Jin、Yan-Jing Li、Yong-Qiang Ma、Ling-Ling Qiu、Jian-Xin Fang

  DOI：10.1002/chem.201103050

  日期：2012.1.9

  couple: Cooperative bimetallic activation of CF and CO bonds gave rise to easy coupling with aryl fluorides and tosylates. Novel air‐ and moisture‐stable diaminophosphine oxides derived from 1,1′‐biphenyl‐2,2′‐diamine proved to be versatile preligands for the nickel‐catalyzed cross‐coupling of aryl Grignard reagents with a variety of deactivated aryl chlorides, fluorides, and tosylates (see scheme)

  一次合作夫妇：章C合作双金属激活 F和C  O键给人们带来方便与耦合芳氟化物和苯磺酸。事实证明，由1,1'-联苯-2,2'-二胺衍生的新型耐空气和湿气稳定的二氨基氧化膦是多用途的配体，可用于镍催化的芳基格氏试剂与各种失活的芳基氯化物，氟化物的交叉偶联。和甲苯磺酸盐（请参阅方案）。
• Synthesis of 4,6-disubstituted pyrimidines via Suzuki and Kumada coupling reaction of 4,6-dichloropyrimidine
  作者：Feng-ling Qing、Ruowen Wang、Benhan Li、Xing Zheng、Wei-Dong Meng

  DOI：10.1016/s0022-1139(02)00279-8

  日期：2003.3

  A series of 4,6-disubstituted pyrimidines were synthesized via Suzuki and Kumada coupling reaction of 4,6-dichloropyrimidine.

  通过Suzuki和4,6-二氯嘧啶的Kumada偶联反应合成了一系列4,6-二取代的嘧啶。