4-甲基-6-苯基嘧啶 | 17759-27-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-甲基-6-苯基嘧啶
• 英文名称: 4-methyl-6-phenylpyrimidine
• 英文别名: 4-Methyl-6-phenyl-pyrimidin
• CAS: 17759-27-2
• 化学式: C₁₁H₁₀N₂
• mdl: MFCD02683766
• 分子量: 170.214
• InChiKey: MTGUMZRYKWCXGO-UHFFFAOYSA-N

物化性质

• 熔点：
  85 °C
• 沸点：
  148-158 °C(Press: 12 Torr)
• 密度：
  1.081±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 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：

  4-甲基-6-苯基嘧啶 在 sodium tetrahydroborate 、 selenium(IV) oxide 、 氯化亚砜 作用下， 以 吡啶 、 甲醇 为溶剂， 反应 18.0h， 生成 (6-phenylpyrimidin-4-yl)methanol
  参考文献：
  名称：

  Studies on pyrimidine derivatives. XVI. Site selectivity in the homolytic substitution of simple pyrimidines.

  摘要：

  在2位和4位均处于游离状态的嘧啶衍生物中，它们与在氧化还原系统中生成的自由基反应时表现出位点选择性。即，6-苯基-(I)、6-甲基嘧啶(XV)和5, 6, 7, 8-四氢喹唑啉(XVII)与诸如RCO、R2NCO、EtOCO和CH2OH等自由基反应，主要生成4位取代产物。除了I与N,N-二甲基氨基甲酰基自由基反应外，未观察到相应的2位取代异构体的形成。

  DOI：

  10.1248/cpb.28.571
• 作为产物：
  描述：

  4-methyl-2-methylthio-6-phenylpyrimidine 在 三乙基硅烷 、 palladium 10% on activated carbon 作用下， 以 四氢呋喃 为溶剂， 反应 24.5h， 以97%的产率得到4-甲基-6-苯基嘧啶
  参考文献：
  名称：

  杂环硫醚的还原断裂方法

  摘要：

  本发明描述了一种温和的，化学选择性的并且通常是高产率的用于还原性切割杂环硫醚的方法。合适的杂环在相对于环杂原子的2-位具有硫醚取代基。用与标准阮内镍条件不兼容的反应物（例如硫化物，砜和噻吩）证明了这种方便，直接的方法。另外，还原反应条件容许苄基酯，苄基酰胺和氨基甲酸苄酯。

  DOI：

  10.1021/ol2026813

文献信息

• 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。
• ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME
  申请人：Samsung Electronics Co., Ltd.

  公开号：US20190036039A1

  公开（公告）日：2019-01-31

  An organometallic compound represented by one of Formulae 1 to 4: wherein, in Formulae 1 to 4, groups and variables are the same as described in the specification.

  一个由公式1至4中的一个表示的有机金属化合物：其中，在公式1至4中，基团和变量与规范中描述的相同。
• Light-Emitting Device, Electronic Device, and Lighting Device Utilizing Phosphorescence
  申请人：Seo Satoshi

  公开号：US20120274201A1

  公开（公告）日：2012-11-01

  A new light-emitting device utilizing phosphorescence is provided. Further, an electronic device and a lighting device which utilize phosphorescence are provided. One embodiment of the present invention is a light-emitting device including a phosphorescent organometallic iridium complex comprising iridium and either pyrimidine having an aryl group at the 4-position or 1,3,5-triazine having an aryl group at the 2-position. One of nitrogen in the pyrimidine or 1,3,5-triazine is coordinated to the iridium. Also, each of the pyrimidine and 1,3,5-triazine has a substituent such as an alkyl group or an aryl group. Further the ortho position of the aryl group which is bonded to the 4-position of the pyrimidine or the 2-position of the 1,3,5-triazine is bonded to the iridium.

  提供了一种利用磷光的新型发光装置。此外，还提供了利用磷光的电子设备和照明设备。本发明的一个实施例是包括铱和在4-位具有芳基的嘧啶或在2-位具有芳基的1,3,5-三嗪的磷光有机金属铱配合物的发光装置。嘧啶或1,3,5-三嗪中的氮原子之一与铱配位。此外，嘧啶和1,3,5-三嗪中的每一个都具有诸如烷基或芳基等取代基。而且，与嘧啶的4-位或1,3,5-三嗪的2-位结合的芳基的邻位与铱结合。
• [EN] ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE<br/>[FR] COMPLEXE ORGANOMÉTALLIQUE, ÉLÉMENT ÉMETTANT DE LA LUMIÈRE, DISPOSITIF ÉMETTANT DE LA LUMIÈRE, DISPOSITIF ÉLECTRONIQUE ET DISPOSITIF D'ÉCLAIRAGE
  申请人：SEMICONDUCTOR ENERGY LAB

  公开号：WO2012053627A1

  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), R1 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, R2 represents any of hydrogen, a substituted or unsubstituted alkyl group having 1 to 4 carbon atoms, and a substituted or unsubstituted phenyl group, R3 represents hydrogen or a substituted or unsubstituted alkyl group having 1 to 4 carbon atoms, and Ar1 represents a substituted or unsubstituted arylene group having 6 to 10 carbon atoms.

  提供了一种可以发出磷光的新物质。另外，提供了一种具有高发射效率的新物质。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，提供了一种具有由通用公式（G1）表示的结构的有机金属配合物。在通用公式（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。
• HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE
  申请人：Kitano Yasushi

  公开号：US20130048971A1

  公开（公告）日：2013-02-28

  Provided is a novel heterocyclic compound which can be used in a light-emitting layer of a light-emitting element as a host material in which a light-emitting substance is dispersed. A heterocyclic compound represented by a general formula (G1) is provided. Any one of R 1 to R 10 represents a substituent represented by a general formula (G1-1), another one of R 1 to R 10 represents a substituent represented by a general formula (G1-2), and the others separately represent hydrogen, an alkyl group having 1 to 6 carbon atoms, a substituted or unsubstituted phenyl group, or a substituted or unsubstituted biphenyl group. Further, α 1 and α 2 separately represent a substituted or unsubstituted phenylene group or a substituted or unsubstituted biphenyldiyl group, and A 1 and A 2 separately represent a substituted or unsubstituted carbazolyl group, a substituted or unsubstituted dibenzothiophenyl group, or a substituted or unsubstituted dibenzofuranyl group.

  提供了一种新颖的杂环化合物，可用作发光元件的发光层中的基底材料，其中分散着发光物质。提供了由通式（G1）表示的杂环化合物。R1至R10中的任一表示由通式（G1-1）表示的取代基，另一个表示由通式（G1-2）表示的取代基，其余分别表示氢、具有1到6个碳原子的烷基基团、取代或未取代的苯基团，或取代或未取代的联苯基团。此外，α1和α2分别表示取代或未取代的苯基基团或取代或未取代的联苯二基基团，A1和A2分别表示取代或未取代的咔唑基团、取代或未取代的二苯并噻吩基团，或取代或未取代的二苯并呋喃基团。