6-Chlor-5-methyl-4-phenyl-pyrimidin | 99852-10-5

• 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: 6-Chlor-5-methyl-4-phenyl-pyrimidin
• 英文别名: 4-chloro-5-methyl-6-phenyl-pyrimidine；4-Chloro-5-methyl-6-phenylpyrimidine
• CAS: 99852-10-5
• 化学式: C₁₁H₉ClN₂
• 分子量: 204.659
• InChiKey: JXXFPVBMCMWXBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-Chlor-5-methyl-4-phenyl-pyrimidin 在 1,2-双(二苯基膦)乙烷氯化镍 magnesium 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以17%的产率得到5-methyl-4-(2-norbornyl)-6-phenylpyrimidine
  参考文献：
  名称：

  Organic Light-Emitting Element, Organometallic Complex, Light-Emitting Device, Electronic Appliance, and Lighting Device

  摘要：

  本发明揭示了一种磷光有机金属配合物，其具有：含有氮原子的6元芳香杂环；氮原子与铱或铂配位；以及与氮原子的α-碳键合并与铱或铂发生邻位金属化的芳基基团，其中至少有芳香杂环和芳基基团中的一个具有作为取代基的脂环烃，其具有分子内碳-碳桥键。脂环烃的臃肿结构能够抑制有机金属配合物的聚集，与脂环烃对芳香杂环或芳基基团的强电子给体性质协同作用，有助于提高有机金属配合物的吸收系数和磷光效率。改进的吸收系数和磷光效率使得形成的发光元件具有优异的外部量子效率超过25%。

  公开号：

  US20120264936A1
• 作为产物：
  描述：

  4,6-二氯-5-甲基嘧啶 、 苯硼酸 在 bis-triphenylphosphine-palladium(II) chloride potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.0h， 生成 6-Chlor-5-methyl-4-phenyl-pyrimidin
  参考文献：
  名称：

  [EN] PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL
  [FR] COMPOSÉ PYRIMIDINE ET SON UTILISATION DANS LA LUTTE ANTIPARASITAIRE

  摘要：

  以下公式（I）所代表的嘧啶化合物对害虫具有出色的控制活性，并可用作杀虫剂的活性成分。

  公开号：

  WO2010134478A1

文献信息

• Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues
  申请人：Caldwell Timothy M.

  公开号：US20080175794A1

  公开（公告）日：2008-07-24

  Substituted pyridazinyl- and pyrimidinyl-quinolin-4-ylamine analogues are provided. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  本发明提供了替代吡啶并嘧啶基喹啉-4-胺类似物。此类化合物是配体，可以用于调节体内或体外特定受体的活性，并在治疗与人类、家畜伴侣动物和家畜动物中的病理性受体激活相关的疾病方面特别有用。本发明还提供了制备这些药物组合物和使用它们治疗这些疾病的方法，以及使用此类配体进行受体定位研究的方法。
• PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL
  申请人：Mizuno Hajime

  公开号：US20120041009A1

  公开（公告）日：2012-02-16

  A pyrimidine compound represented by below formula (I) has excellent control activity against pests and is useful as an active ingredient of a pest controlling agent.

  下面公式（I）所表示的嘧啶化合物具有优异的害虫控制活性，并且可用作害虫控制剂的活性成分。
• Organic light-emitting element, organometallic complex, light-emitting device, electronic appliance, and lighting device
  申请人：Inoue Hideko

  公开号：US09200022B2

  公开（公告）日：2015-12-01

  Disclosed is a phosphorescent organometallic complex having: a 6-membered aromatic heterocycle having a nitrogen atom; iridium or platinum to which the nitrogen atom coordinates; and an aryl group which is bonded to an α-carbon of the nitrogen atom and is ortho-metalated with the iridium or platinum, where at least one of the aromatic heterocycle and the aryl group has an alicyclic hydrocarbon having an intramolecular carbon-carbon bridged bond as a substituent. The ability of the bulky structure of the alicyclic hydrocarbon to inhibit aggregation of the organometallic complex, concerted with the strong electron-donating property of the alicyclic hydrocarbon to the aromatic heterocycle or the aryl group, contributes to the increase in absorption coefficient and phosphorescent efficiency of the organometallic complex. The improved absorption coefficient and the phosphorescent efficiency allow the formation of a light-emitting element with excellent external quantum efficiency over 25%.

  本发明涉及一种磷光有机金属配合物，包括：含有一个氮原子的6元芳杂环；与氮原子配位的铱或铂；以及与氮原子的α-碳键合并与铱或铂发生正金属化的芳基基团，其中芳杂环和芳基基团中至少有一个含有内环碳-碳桥键的脂环烃作为取代基。脂环烃的笨重结构能够抑制有机金属配合物的聚集，同时脂环烃对芳杂环或芳基基团的强电子给体性有助于提高配合物的吸收系数和磷光效率。改进后的吸收系数和磷光效率使得可以形成外部量子效率超过25%的发光元件。
• US9200022B2
  申请人：——

  公开号：US9200022B2

  公开（公告）日：2015-12-01
• [EN] ORGANIC LIGHT-EMITTING ELEMENT, ORGANOMETALLIC COMPLEX, LIGHT-EMITTING DEVICE, ELECTRONIC APPLIANCE, AND LIGHTING DEVICE<br/>[FR] ÉLÉMENT ÉLECTROLUMINESCENT ORGANIQUE, COMPLEXE ORGANOMÉTALLIQUE, DISPOSITIF ÉLECTROLUMINESCENT, APPAREIL ÉLECTRONIQUE, ET DISPOSITIF D'ÉCLAIRAGE
  申请人：SEMICONDUCTOR ENERGY LAB

  公开号：WO2012141185A1

  公开（公告）日：2012-10-18

  Disclosed is a phosphorescent organometallic complex having: a 6-membered aromatic heterocycle having a nitrogen atom; iridium or platinum to which the nitrogen atom coordinates; and an aryl group which is bonded to an α-carbon of the nitrogen atom and is ortho-metalated with the iridium or platinum, where at least one of the aromatic heterocycle and the aryl group has an alicyclic hydrocarbon having an intramolecular carbon-carbon bridged bond as a substituent. The ability of the bulky structure of the alicyclic hydrocarbon to inhibit aggregation of the organometallic complex, concerted with the strong electron-donating property of the alicyclic hydrocarbon to the aromatic heterocycle or the aryl group, contributes to the increase in absorption coefficient and phosphorescent efficiency of the organometallic complex. The improved absorption coefficient and the phosphorescent efficiency allow the formation of a light-emitting element with excellent external quantum efficiency over 25%.