4-(phenyl-d5)aniline | 215527-72-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(phenyl-d5)aniline
• 英文别名: 4-aminobiphenyl-2',3',4',5',6'-d5；4-(2,3,4,5,6-pentadeuteriophenyl)aniline
• CAS: 215527-72-3
• 化学式: C₁₂H₁₁N
• 分子量: 174.186
• InChiKey: DMVOXQPQNTYEKQ-RALIUCGRSA-N

物化性质

• 熔点：
  47-48°C
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(phenyl-d5)aniline 在 四(三苯基膦)钯 氢氧化钾 、 benzyltrimethylammonium tribromide 、 四丁基溴化铵 、 calcium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 4-(phenyl-d5)-2,6-di(3-pyridyl)aniline
  参考文献：
  名称：

  Pyridyl-Substituted Thioaminyl Stable Free Radicals:  Isolation, ESR Spectra, and Magnetic Characterization¹

  摘要：

  N-[(4-Nitrophenyl)thio]- (1a) and N-[(2,4-dichlorophenyl)thio]-2,6-diphenenyl-4-(3-pyridyl)phenyl aminyl (1b), N-[(4-nitrophenyl)thio] - (2a) and N-[(2,4-dichlorophenyl)thio]-4-phenyl-2,6-di(3-pyridyl)-phenylaminyl (2b), and N-[(2,4-dichlorophenyl)thio]-2,6-diphenyl(4-pyridyl)aminyl (3) were generated by PbO2 oxidation of the corresponding precursors. Although 3 was not sufficiently stable to be isolated, both 1 and 2 persisted in solution without decomposition and could be isolated as radical crystals. X-ray crystallographic analysis of 1b revealed that the Ar-N-S-Ar' pi-framework is approximately planar and the 2- and B-phenyl groups are significantly twisted from this plane. The magnetic susceptibility measurements for the isolated radical crystals were carried out using a SQUID magnetometer in the temperature range 1.8-300 K. The susceptibilities of 1a and 2a were explained in terms of a one-dimensional (1D) antiferromagnetic (AFM) regular Heisenberg model with an exchange interaction of 2J/k(B) = -63.4 and -17.8 K, respectively, and that of 1b was interpreted in terms of a 1D AFM alternating Heisenberg model with 2J/k(B) = -12.8 K and a (alternation parameter) = 0.91. On the other hand, that of 2b was explained in terms of a 1D ferromagnetic regular Heisenberg model with 2J/k(B) = 22.4 K.

  DOI：

  10.1021/jo981155g
• 作为产物：
  描述：

  4-溴苯胺 、 苯基-D5-硼酸 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 乙醇 、 水 、 苯 为溶剂， 反应 24.0h， 以82%的产率得到4-(phenyl-d5)aniline
  参考文献：
  名称：

  Pyridyl-Substituted Thioaminyl Stable Free Radicals:  Isolation, ESR Spectra, and Magnetic Characterization¹

  摘要：

  N-[(4-Nitrophenyl)thio]- (1a) and N-[(2,4-dichlorophenyl)thio]-2,6-diphenenyl-4-(3-pyridyl)phenyl aminyl (1b), N-[(4-nitrophenyl)thio] - (2a) and N-[(2,4-dichlorophenyl)thio]-4-phenyl-2,6-di(3-pyridyl)-phenylaminyl (2b), and N-[(2,4-dichlorophenyl)thio]-2,6-diphenyl(4-pyridyl)aminyl (3) were generated by PbO2 oxidation of the corresponding precursors. Although 3 was not sufficiently stable to be isolated, both 1 and 2 persisted in solution without decomposition and could be isolated as radical crystals. X-ray crystallographic analysis of 1b revealed that the Ar-N-S-Ar' pi-framework is approximately planar and the 2- and B-phenyl groups are significantly twisted from this plane. The magnetic susceptibility measurements for the isolated radical crystals were carried out using a SQUID magnetometer in the temperature range 1.8-300 K. The susceptibilities of 1a and 2a were explained in terms of a one-dimensional (1D) antiferromagnetic (AFM) regular Heisenberg model with an exchange interaction of 2J/k(B) = -63.4 and -17.8 K, respectively, and that of 1b was interpreted in terms of a 1D AFM alternating Heisenberg model with 2J/k(B) = -12.8 K and a (alternation parameter) = 0.91. On the other hand, that of 2b was explained in terms of a 1D ferromagnetic regular Heisenberg model with 2J/k(B) = 22.4 K.

  DOI：

  10.1021/jo981155g

文献信息

• 피렌 유도체 및 이를 포함하는 유기전계발광소자
  申请人：SFC CO., LTD. 에스에프씨 주식회사(120060087061) Corp. No ▼ 135511-0105889BRN ▼134-81-54429

  公开号：KR102080738B1

  公开（公告）日：2020-02-24

  본 발명은 비대칭 구조의 피렌계 유도체 화합물 및 이를 유기발광화합물로 포함하는 유기전계발광소자에 관한 것으로서, 본 발명에 따른 피렌 유도체는 하기 [화학식 A] 내지 [화학식 B]로 표시되는 것을 특징으로 하고, 본 발명에 따른 피렌 유도체 화합물은 종래 피렌계 아릴아민 유도체 화합물을 채용한 유기전계발광소자에 비하여 현저히 향상된 청색 색순도를 나타내고, 이와 동시에 수명특성, 휘도 특성이 우수하여 풀컬러 구현이 가능한바, 다양한 표시소자로 활용될 수 있다. [화학식 A] [화학식 B]

  本发明涉及一种非对称结构的苯系衍生物化合物，以及将其包含在有机电致发光器件中的有机电致发光器件。根据本发明，所述苯衍生物的特征为其表示为[化学式A]至[化学式B]，根据本发明的苯衍生物化合物相对于传统的苯基芳胺衍生物化合物采用的有机电致发光器件具有明显改进的青色色度，并且同时具有优越的寿命特性和亮度特性，可实现全彩色显示，可用于各种显示器件。 [化学式A] [化学式B]
• 피리디닐기를 포함하는 아민기가 치환된 비대칭 피렌 유도체 및 이를 포함하는 유기 발광 소자
  申请人：SFC CO., LTD. 에스에프씨 주식회사(120060087061) Corp. No ▼ 135511-0105889BRN ▼134-81-54429

  公开号：KR102237895B1

  公开（公告）日：2021-04-09

  본 발명은 하기 [화학식 A] 또는 [화학식 B]로 표시되는 피렌 유도체 및 이를 포함하는 유기 발광 소자에 관한 것으로, 치환기 Py, Ar1 내지 Ar3, Z 및 m은 발명의 상세한 설명에 정의된 바와 동일하다. [화학식 A] [화학식 B]

  本发明涉及以以下化学式A或化学式B表示的芘衍生物以及包含它们的有机发光器件，其中取代基Py，Ar1至Ar3，Z和m如本发明的详细描述中所定义。 化学式A 化学式B
• 一种含有芴的芳胺化合物及其有机电致发光 器件
  申请人：长春海谱润斯科技股份有限公司

  公开号：CN111960953B

  公开（公告）日：2021-10-15

  本发明提供一种含有芴的芳胺化合物及其有机电致发光器件，属于有机光电材料技术领域。为了改善发光层中电荷的均衡性，避免空穴传输层的界面发光，本发明提供一种具有合适HOMO值和T1值，且空穴传输性能好的含有芴的芳胺化合物，作为空穴传输层应用到OLED器件中时，可以提高器件的发光效率，同时还能延长器件的使用寿命，是一类光电性能优良的OLED材料。
• COMPOUND, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE USING THE LATTER
  申请人：Mun Soungyun

  公开号：US20140027747A1

  公开（公告）日：2014-01-30

  The present invention relates to a compound, which is represented by one chemical formula among the chemical formulas (1) to (3), an organic electronic element comprising the compound, and an electronic device comprising the organic electronic element. The compound is characterized by comprising at least one phenyl group having at least one substitution with deuterium or tritium.

  本发明涉及一种化合物，该化合物由化学式（1）至（3）中的一个化学式表示，以及包含该化合物的有机电子元件和包含有机电子元件的电子设备。该化合物的特征在于，其包含至少一个苯基，该苯基至少有一个氘或氚的取代基。
• 一种芳胺衍生物及其有机电致发光器件
  申请人：长春海谱润斯科技股份有限公司

  公开号：CN114621102B

  公开（公告）日：2023-05-02

  本发明提供了一种芳胺衍生物及其有机电致发光器件，涉及有机电致发光材料技术领域。本发明主要解决目前大多数的空穴传输材料性能不够理想，有机电致发光器件驱动电压高、发光效率低、使用寿命短等问题。本发明结构式1的芳胺衍生物为含有苯基、联苯基、三联苯基等简单芳基的氘代或氚代星型芳胺化合物。该芳胺衍生物具有较好的稳定性以及成膜性，将其用于有机电致发光器件的空穴传输区域时，有机电致发光器件表现出较低的驱动电压、较高的发光效率以及较长的使用寿命，器件的性能得到了明显的改善，是一种性能较好的有机光电材料。