4-methyl-1-(4-methylphenyl)isoquinoline | 131003-83-3

• 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: 4-methyl-1-(4-methylphenyl)isoquinoline
• 英文别名: 4-methyl-1-(p-tolyl)isoquinoline；4-methyl-1-p-tolylisoquinoline
• CAS: 131003-83-3
• 化学式: C₁₇H₁₅N
• 分子量: 233.313
• InChiKey: MJSSEZYEKFDHGF-UHFFFAOYSA-N

物化性质

• 熔点：
  93-94 °C(Solv: hexane (110-54-3))
• 沸点：
  373.9±11.0 °C(Predicted)
• 密度：
  1.087±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  氯化铱(III) 水合物 、 4-methyl-1-(4-methylphenyl)isoquinoline 以 乙二醇乙醚 、 乙醚 为溶剂， 生成 [(4-methyl-1-p-tolylisoquinolinato-N,C(2'))2Ir(μ-Cl)2Ir(4-methyl-1-p-tolylisoquinolinato-N,C(2'))2]
  参考文献：
  名称：

  双取代对苯基异喹啉铱（III）配合物的影响

  摘要：

  本文研究了一系列双取代的苯基异喹啉铱（III）配合物的合成和光物理性质。有趣的是，即使单晶X射线晶体学数据显示存在空间位阻，也可以制备双[3-甲基-1-对甲苯基喹啉基-N，C 2 ']铱（III）（乙酰丙酮）（6a1）。由于在C-3位上的甲基对异喹啉有阻碍作用。值得注意的是，循环伏安（CV）测量表明，尽管这些铱（III）配合物具有相似的能隙，但它们的E 1/2（ox）不同于单取代的（在苯环中）苯基异喹啉铱（III）配合物。这说明铱（III）配合物氧化电位的主要影响是取代的异喹啉环。而在红色区域发射的所有这些配合物，双[5-甲基-1- p -tolylisoquinolinato- Ñ，c ^ 2 “]铱（III）（乙酰丙酮）（6C1）显示9299.36烛光/米的更高的亮度2在在电流密度J = 0.28 mA / cm 2时，更高的电流密度J = 63.69 mA / cm 2和更好的发光效率21

  DOI：

  10.1021/om050638p
• 作为产物：
  描述：

  4-Methyl-N-(2-oxo-1-phenyl-propyl)-benzamide 在 sodium tetrahydroborate 、 phosphorus pentoxide 作用下， 以 甲醇 、 苯 为溶剂， 反应 6.0h， 生成 4-methyl-1-(4-methylphenyl)isoquinoline
  参考文献：
  名称：

  Kopczynski, Tomasz; Krzyzanowska, Ewa, Polish Journal of Chemistry, 1989, vol. 63, # 4-12, p. 471 - 482

  摘要：

  DOI：

文献信息

• One-pot synthesis of 4-methylisoquinolines via a sequential Pd-catalyzed Heck reaction and intramolecular cyclization
  作者：Yulin Tian、Jianguo Qi、Chenbin Sun、Dali Yin、Xiaojian Wang、Qiong Xiao

  DOI：10.1039/c3ob41680a

  日期：——

  An efficient, one-pot synthesis of 4-methylisoquinolines via a cascade Pd-catalyzed Heck reaction, intramolecular cyclization and isomerization has been developed. This reaction has a wide range of substrates with various functional groups, and the corresponding products have been obtained in good yields.

  通过级联的钯催化的Heck反应，分子内环化和异构化，一种有效的一锅法合成4-甲基异喹啉。该反应具有多种具有各种官能团的底物，并且已经以良好的产率获得了相应的产物。
• METAL COMPLEX, COMPOSITION AND LIGHT EMITTING DEVICE
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20190185500A1

  公开（公告）日：2019-06-20

  A metal complex represented by formula (1) is provided. In formula (1), X represents a nitrogen atom or a group represented by ═C(R X )—; R 1 represents an alkyl group having 4 or more carbon atoms; R 2 represents an alkyl, cycloalkyl, alkoxy, cycloalkoxy, aryl, aryloxy, monovalent heterocyclic, or substituted amino group or a halogen atom; rings A and B each independently represent an aromatic hydrocarbon ring or an aromatic heterocyclic ring; M represents a rhodium, palladium, iridium, or platinum atom; n 1 represents an integer of 1 or more, n 2 represents an integer of 0 or more, and n 1 +n 2 is 2 or 3; A 1 -G 1 -A 2 represents an anionic bidentate ligand; A 1 and A 2 each independently represent a carbon atom, an oxygen atom, or a nitrogen atom; and G 1 represents a single bond or an atomic group constituting a bidentate ligand together with A 1 and A 2 .

  提供了由式（1）表示的金属配合物。在式（1）中，X代表氮原子或由 ═C(RX)— 表示的基团；R1代表具有4个或更多碳原子的烷基基团；R2代表烷基、环烷基、烷氧基、环烷氧基、芳基、芳氧基、一价杂环基、或取代氨基或卤素原子；环A和环B各自独立地代表芳香烃环或芳香杂环；M代表铑、钯、铱或铂原子；n1代表1或更多的整数，n2代表0或更多的整数，且n1+n2为2或3；A1-G1-A2代表阴离子双齿配体；A1和A2各自独立地代表碳原子、氧原子或氮原子；G1代表单键或与A1和A2一起构成双齿配体的原子团。
• METAL COMPLEX AND LIGHT EMITTING DEVICE USING THE SAME
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20170166599A1

  公开（公告）日：2017-06-15

  Provided is a metal complex excellent in light emission stability. The metal complex is represented by the formula (1): wherein M represents an iridium atom or the like, n 1 represents an integer of 1 to 3, n 2 represents an integer of 0 to 2, E 2 to E 4 represent a nitrogen atom or a carbon atom where two selected from among E 2 to E 4 are nitrogen atoms and the remaining one is a carbon atom, R 1 represents an aryl group or the like, R 2 and R 3 represent a hydrogen atom, an alkyl group, an aryl group or the like, the ring B represents a triazole ring, the ring A represents an aromatic hydrocarbon ring or the like, and A 1 -G 1 -A 2 represents an anionic bidentate ligand.

  提供的是一种在发光稳定性方面表现出色的金属配合物。该金属配合物由以下式表示：其中M代表铱原子或类似物，n1代表1到3的整数，n2代表0到2的整数，E2到E4代表氮原子或碳原子，其中E2到E4中选取两个为氮原子，另一个为碳原子，R1代表芳基或类似物，R2和R3代表氢原子、烷基、芳基或类似物，环B代表三唑环，环A代表芳香烃环或类似物，A1-G1-A2代表一个阴离子双齿配体。
• POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20170137566A1

  公开（公告）日：2017-05-18

  Provided is a polymer compound which is useful for production of a light emitting device excellent in light emission efficiency is provided. The polymer compound contains a constitutional unit represented by the formula (1) and a constitutional unit represented by the formula (Y) as follows: wherein R 1 to R 8 represent a hydrogen atom, an alkyl group, an aryl group or the like, and R A and R B represent an aryl group or a monovalent heterocyclic group, and Ar Y1   (Y) wherein Ar Y1 represents an arylene group or the like.

  提供了一种聚合物化合物，可用于生产具有出色的光发射效率的发光装置。该聚合物化合物包含由式（1）表示的构成单元和由式（Y）表示的构成单元，其中R1至R8表示氢原子，烷基，芳基或类似物，RA和RB表示芳基或单价杂环基，而ArY1（Y）表示芳烃基或类似物。
• Red phosphorescent compounds and organic electroluminescent devices using the same
  申请人：Kim Jung Keun

  公开号：US20070128468A1

  公开（公告）日：2007-06-07

  Disclosed herein are red phosphorescent compounds of the following Formulas 1 to 3: wherein R1 and R2 are independently a C 1 -C 4 alkyl group, R3, R4, R5 and R6 are independently selected from hydrogen, C 1 -C 4 alkyl groups and C 1 -C 4 alkoxy groups, and is selected from 2,4-pentanedione, 2,2,6,6,-tetramethylheptane-3,5-dione, 1,3-propanedione, 1,3-butanedione, 3,5-heptanedione, 1,1,1-trifluoro-2,4-pentanedione, 1,1,1,5,5,5-hexafluoro-2,4-pentanedione, and 2,2-dimethyl-3,5-hexanedione; wherein R1, R2, R3 and R4 are independently selected from C 1 -C 4 alkyl groups and C 1 -C 4 alkoxy groups, and is selected from 2,4-pentanedione, 2,2,6,6,-tetramethylheptane-3,5-dione, 1,3-propanedione, 1,3-butanedione, 3,5-heptanedione, 1,1,1-trifluoro-2,4-pentanedione, 1,1,1,5,5,5-hexafluoro-2,4-pentanedione and 2,2-dimethyl-3,5-hexanedione; wherein R1, R2, R3 and R4 are independently selected from hydrogen, C 1 -C 4 alkyl groups and C 1 -C 4 alkoxy groups, and is selected from 2,4-pentanedione, 2,2,6,6,-tetramethylheptane-3,5-dione, 1,3-propanedione, 1,3-butanedione, 3,5-heptanedione, 1,1,1-trifluoro-2,4-pentanedione, 1,1,1,5,5,5-hexafluoro-2,4-pentanedione and 2,2-dimethyl-3,5-hexanedione. Further disclosed herein is an organic electroluminescent (EL) device comprising an anode, a hole injecting layer, a hole transport layer, a light-emitting layer, an electron transport layer, an electron injecting layer, and a cathode laminated in this order wherein one of the red phosphorescent compounds is used as a dopant of the light-emitting layer.

  本文披露了以下1至3式的红色磷光化合物：其中，R1和R2分别是C1-C4烷基，R3、R4、R5和R6独立选择自氢、C1-C4烷基和C1-C4烷氧基，且为2,4-戊二酮、2,2,6,6-四甲基庚烷-3,5-二酮、1,3-丙二酮、1,3-丁二酮、3,5-庚二酮、1,1,1-三氟-2,4-戊二酮、1,1,1,5,5,5-六氟-2,4-戊二酮和2,2-二甲基-3,5-己二酮中选择；其中，R1、R2、R3和R4独立选择自C1-C4烷基和C1-C4烷氧基，且为2,4-戊二酮、2,2,6,6-四甲基庚烷-3,5-二酮、1,3-丙二酮、1,3-丁二酮、3,5-庚二酮、1,1,1-三氟-2,4-戊二酮、1,1,1,5,5,5-六氟-2,4-戊二酮和2,2-二甲基-3,5-己二酮中选择；其中，R1、R2、R3和R4独立选择自氢、C1-C4烷基和C1-C4烷氧基，且为2,4-戊二酮、2,2,6,6-四甲基庚烷-3,5-二酮、1,3-丙二酮、1,3-丁二酮、3,5-庚二酮、1,1,1-三氟-2,4-戊二酮、1,1,1,5,5,5-六氟-2,4-戊二酮和2,2-二甲基-3,5-己二酮中选择。本文进一步披露了一种有机电致发光（EL）器件，包括依次层叠的阳极、空穴注入层、空穴传输层、发光层、电子传输层、电子注入层和阴极，其中，红色磷光化合物中的一种被用作发光层的掺杂剂。