N,N'-diphenyl-N,N'-bis(3-methylphenyl)-1,4-phenylenediamine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-diphenyl-N,N'-bis(3-methylphenyl)-1,4-phenylenediamine
• 英文别名: N,N'-bis(3-methylphenyl)-N,N'-diphenyl-para-phenylenediamine；N,N'-diphenyl-N,N'-di(3-methylphenyl)-1,4-phenylenediamine；N,N'-Diphenyl-N,N'-di(m-tolyl)-1,4-phenylenediamine；1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
• 化学式: C₃₂H₂₈N₂
• 分子量: 440.588
• InChiKey: ZWZXDJMNYGRYNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,4-二溴苯 、 3-甲基二苯胺 在 palladium diacetate 、 三叔丁基膦 、 sodium t-butanolate 作用下， 以 邻二甲苯 为溶剂， 反应 3.0h， 以80%的产率得到N,N'-diphenyl-N,N'-bis(3-methylphenyl)-1,4-phenylenediamine
  参考文献：
  名称：

  钯催化的芳基卤化物和二芳基胺的合成三芳基胺

  摘要：

  通过钯催化的芳基卤化物和二芳基胺的交叉偶联反应，可以容易地以优异的产率制备各种三芳基胺。通过使用Pd（OAc）2和庞大且富含电子的配体的催化剂组合，可以快速进行胺化反应。P（t- Bu）3。

  DOI：

  10.1016/s0040-4039(98)00202-0

文献信息

• ORGANIC COMPOUND, LIGHT EMITTING DIODE AND LIGHT EMITTING DEVICE HAVING THE COMPOUND
  申请人：LG Display Co., Ltd.

  公开号：US20200181157A1

  公开（公告）日：2020-06-11

  The present disclosure relates to an organic compound having a fused aromatic or hetero aromatic ring including a carbazole or fluorene moiety and a group having excellent charge mobility property, and a light emitting diode and a light emitting device having the organic compound. The organic compound can be applied into the light emitting diode by using solution process and has very deep HOMO energy level. When the organic compound is applied into a chare transfer layer, a HOMO energy level bandgap between the charge transfer layer and an emitting material layer is reduced so that holes and electrons can be injected into the emitting material layer in a balanced manner.

  本公开涉及一种具有融合芳香或杂环芳香环的有机化合物，包括咔唑或芴基团以及具有优异电荷迁移性能的基团，并且具有所述有机化合物的发光二极管和发光装置。该有机化合物可以通过溶液法应用于发光二极管，并具有非常深的HOMO能级。当该有机化合物应用于电荷转移层时，电荷转移层与发光材料层之间的HOMO能级带隙减小，从而使空穴和电子可以以平衡的方式注入到发光材料层中。
• Palladium-catalyzed synthesis of triarylamines from aryl halides and diarylamines
  作者：Toshihide Yamamoto、Masakazu Nishiyama、Yasuyuki Koie

  DOI：10.1016/s0040-4039(98)00202-0

  日期：1998.4

  Various triarylamines can be readily prepared in excellent yields by palladium-catalyzed cross-coupling reaction of aryl halides and diarylamines. The amination reaction takes place rapidly by using the catalyst combination of Pd(OAc)2 and a bulky and electron-rich ligand. P(t-Bu)3.

  通过钯催化的芳基卤化物和二芳基胺的交叉偶联反应，可以容易地以优异的产率制备各种三芳基胺。通过使用Pd（OAc）2和庞大且富含电子的配体的催化剂组合，可以快速进行胺化反应。P（t- Bu）3。
• Process for preparing arylamines
  申请人：Xerox Corporation

  公开号：US04764625A1

  公开（公告）日：1988-08-16

  The process of preparing a tertiary amine by the condensation of a mono- or di-tertiary amine and a mono- or di-iodoaryl compound. Conducting the condensation reaction in the presence of potassium hydroxide, and a copper catalyst, either in the absence of a solvent or with an inert saturated hydrocarbon solvent, in an inert atmosphere, at a temperature between from about 120.degree. C. to about 190.degree. C. for a period of time sufficient to at least substantially complete the reaction.

  通过将一种单或双三级胺和一种单或双碘芳基化合物缩合制备三级胺的过程。在存在氢氧化钾和铜催化剂的条件下进行缩合反应，无溶剂或者与惰性饱和烃溶剂一起，在惰性气氛中，在温度约为120摄氏度至190摄氏度之间的条件下，反应时间足够长以至少基本完成反应。
• SULFONIC ACID ESTER COMPOUND AND USE THEREFOR
  申请人：NISSAN CHEMICAL CORPORATION

  公开号：US20190169120A1

  公开（公告）日：2019-06-06

  Provided is a sulfonic acid ester compound represented by formula (1). (In the formula, R 1 and R 2 each independently represent a hydrogen atom, or a straight-chain or branched monovalent aliphatic hydrocarbon group. R 3 represents a straight-chain or branched monovalent aliphatic hydrocarbon group. The sum of the carbon numbers of R 1 , R 2 and R 3 is 6 or greater. A 1 represents —O— or —S—. A 2 represents an aromatic group having a valence of (n+1). A 3 represents a hydrocarbon group which has a valence of m, and is unsubstituted or has a substituent that contains one or more aromatic rings. m represents an integer satisfying 2≤m≤4. n represents an integer satisfying 1≤n≤4.)

  提供的是由式（1）表示的磺酸酯化合物。（在该式中，R1和R2分别代表氢原子，或直链或支链的一价脂肪族碳氢基团。R3代表直链或支链的一价脂肪族碳氢基团。R1、R2和R3的碳原子数之和为6或更大。A1代表—O—或—S—。A2代表具有（n+1）价的芳香基团。A3代表具有m价的碳氢基团，未取代或具有含有一个或多个芳香环的取代基。m表示满足2≤m≤4的整数。n表示满足1≤n≤4的整数。）
• ANILINE DERIVATIVE AND USE THEREOF
  申请人：NISSAN CHEMICAL CORPORATION

  公开号：US20210061825A1

  公开（公告）日：2021-03-04

  An aniline derivative represented by formula (1) is provided. [In formula (1), R 1 to R 5 are each independently a hydrogen atom or a group represented by formula (2) or (3) (wherein Ar 1 and Ar 2 each independently represent a C 6-20 aryl group and Ar 3 represents a C 6-20 arylene group, any two of Ar 1 to Ar 3 may be bonded to each other to form a ring in cooperation with the nitrogen atom, R 6 to R 8 each independently represent a C 1-20 alkyl or C 6-20 aryl group optionally substituted by W 1 , and W 1 represents a halogen atom, a nitro group, a C 1-20 alkoxy group, or a cyano group), at least one of R 1 to R 5 being a group represented by formula (3).]

  提供一个由化学式（1）表示的苯胺衍生物。 [在化学式（1）中，R1至R5分别独立地是氢原子或由化学式（2）或（3）表示的基团（其中Ar1和Ar2分别独立地表示C6-20芳基基团，Ar3表示C6-20芳亚基基团，Ar1至Ar3中的任意两个可以与氮原子结合形成环，R6至R8分别独立地表示C1-20烷基或C6-20芳基基团，可选择地被W1取代，W1表示卤素原子、硝基基团、C1-20烷氧基团或氰基），其中至少有一个是由化学式（3）表示的基团。]