4-amino-3',5'-di-tert-butylbiphenyl | 865096-73-7

• 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-amino-3',5'-di-tert-butylbiphenyl
• 英文别名: 3',5'-Di-tert-butyl-[1,1'-biphenyl]-4-amine；4-(3,5-ditert-butylphenyl)aniline
• CAS: 865096-73-7
• 化学式: C₂₀H₂₇N
• 分子量: 281.441
• InChiKey: LFXWFLXIVWFAIS-UHFFFAOYSA-N

物化性质

• 熔点：
  97.3-97.6 °C
• 沸点：
  383.5±31.0 °C(Predicted)
• 密度：
  0.969±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 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-amino-3',5'-di-tert-butylbiphenyl 在 四(三苯基膦)钯 盐酸 、 copper(l) iodide 、 二异丙胺 、 benzyl triethylammonium dichloroiodate 、 sodium nitrite 、 碘甲烷 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 48.25h， 生成 2-[5-(3,5-Ditert-butylphenyl)-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane
  参考文献：
  名称：

  Carbon Networks Based on Dehydrobenzoannulenes. 5. Extension of Two-Dimensional Conjugation in Graphdiyne Nanoarchitectures

  摘要：

  The synthesis and optical properties of a series of multinanometer-sized substructures of the phenyl-diacetylene carbon allotrope, graphdiyne, are described. These molecules are among the largest and most complex annulenic systems yet prepared, with extension of linear conjugation in two-dimensions to over twice that of any previously reported planar macrocycle. The graphdiyne substructures are constructed through convergent syntheses, taking advantage of three key intermediates and silane-protected phenylacetylenes. Intramolecular macrocyclization of alpha,omega-polyyne precursors via Cu-niediated or Pd-catalyzed oxidative homocoupling affords five new graphdiyne "oligomers" possessing two to flour fused 1.8-membered rings. The attempted synthesis of a six-ring analogue is also reported.

  DOI：

  10.1021/jo050926v
• 作为产物：
  描述：

  3,5-二叔丁基溴苯 在 盐酸 、 tin 、 叔丁基锂 作用下， 以 乙醚 、 乙醇 、 水 、 正戊烷 为溶剂， 反应 27.0h， 生成 4-amino-3',5'-di-tert-butylbiphenyl
  参考文献：
  名称：

  Carbon Networks Based on Dehydrobenzoannulenes. 5. Extension of Two-Dimensional Conjugation in Graphdiyne Nanoarchitectures

  摘要：

  The synthesis and optical properties of a series of multinanometer-sized substructures of the phenyl-diacetylene carbon allotrope, graphdiyne, are described. These molecules are among the largest and most complex annulenic systems yet prepared, with extension of linear conjugation in two-dimensions to over twice that of any previously reported planar macrocycle. The graphdiyne substructures are constructed through convergent syntheses, taking advantage of three key intermediates and silane-protected phenylacetylenes. Intramolecular macrocyclization of alpha,omega-polyyne precursors via Cu-niediated or Pd-catalyzed oxidative homocoupling affords five new graphdiyne "oligomers" possessing two to flour fused 1.8-membered rings. The attempted synthesis of a six-ring analogue is also reported.

  DOI：

  10.1021/jo050926v

文献信息

• Na⁺ Ions Induce the Pirouetting Motion and Catalytic Activity of [2]Rotaxanes
  作者：Yong-Jay Lee、Kuang-Shun Liu、Chien-Chen Lai、Yi-Hung Liu、Shie-Ming Peng、Richard P. Cheng、Sheng-Hsien Chiu

  DOI：10.1002/chem.201702525

  日期：2017.7.21

  catalysts depends on their pirouetting motion, which can be controlled through the addition and removal of Na+ ions. At least three sequential on/off cycles of a Michael reaction can be performed in situ when using the NaTFPB/[2.2.2]cryptand reagent pair to switch “on” and “off” the catalytic ability of the [2]rotaxanes.

  我们制备了[2]轮烷，其作为可转换催化剂的行为取决于它们的自吸附运动，该运动可以通过添加和去除Na +离子来控制。当使用NaTFPB / [2.2.2] cryptand试剂对切换“打开”和“关闭” [2]轮烷的催化能力时，可以原位执行至少三个迈克尔反应顺序的开/关循环。
• A Redox-Controllable Molecular Switch Based on Weak Recognition of BPX26C6 at a Diphenylurea Station
  作者：Jia-Cheng Chang、Chien-Chen Lai、Sheng-Hsien Chiu

  DOI：10.3390/molecules20021775

  日期：——

  The Na+ ion–assisted recognition of urea derivatives by BPX26C6 has allowed the construction of a redox-controllable [2]rotaxane-type molecular switch based on two originally very weakly interacting host/guest systems. Using NOBF4 to oxidize the triarylamine terminus into a corresponding radical cation attracted the macrocyclic component toward its adjacent carbamate station; subsequent addition of Zn powder moved the macrocyclic component back to its urea station.

  BPX26C6 在 Na+ 离子的辅助下识别脲衍生物，从而在两个原本相互作用很弱的主/客体系统的基础上构建了一种氧化还原可控的 [2]rotaxane 型分子开关。利用 NOBF4 将三芳基胺末端氧化成相应的自由基阳离子，将大环成分吸引到邻近的氨基甲酸酯位点；随后加入锌粉，将大环成分移回脲位点。
• ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC DEVICE, AND LIGHTING DEVICE
  申请人：SEMICONDUCTOR ENERGY LABORATORY CO., LTD.

  公开号：US20220348534A1

  公开（公告）日：2022-11-03

  An organic compound having a hole-transport property and a low refractive index is provided. An organic compound represented by General Formula (G1) is provided. In the formula, Ar 12 represents an aryl group having 6 to 10 carbon atoms in a ring and includes at least one branched-chain or cyclic alkyl group having 3 to 12 carbon atoms. The total number of carbon atoms of the branched-chain or cyclic alkyl group having 3 to 12 carbon atoms in Ar 12 is 6 to 36. Ar 11 and Ar 21 each represent a substituted or unsubstituted arylene group having 6 to 13 carbon atoms in a ring. Ar 22 represents a substituted or unsubstituted aryl group having 6 to 10 carbon atoms in a ring. In addition, n and m each independently represent an integer of 0 or 1. Ar 1 represents a phenyl group including at least one alkyl group having 1 to 6 carbon atoms. Ar 2 represents a phenyl group including at least one alkyl group having 1 to 6 carbon atoms, or an alkyl group having 1 to 4 carbon atoms.

  提供一种具有空穴传输性和低折射率的有机化合物。提供一种由通式（G1）表示的有机化合物。在该式中，Ar12表示一个具有6至10个碳原子的环上芳基基团，并包括至少一个具有3至12个碳原子的支链或环状烷基基团。具有3至12个碳原子的支链或环状烷基基团在Ar12中的总碳原子数为6至36。Ar11和Ar21分别表示一个具有6至13个碳原子的环上取代或未取代的芳烃基团。Ar22表示一个具有6至10个碳原子的环上取代或未取代的芳基基团。此外，n和m分别独立地表示0或1的整数。Ar1表示一个苯基团，包括至少一个具有1至6个碳原子的烷基基团。Ar2表示一个苯基团，包括至少一个具有1至6个碳原子的烷基基团，或一个具有1至4个碳原子的烷基基团。
• 有机化合物、混合物、组合物、有机发光器件及显示面板
  申请人：深圳市华星光电半导体显示技术有限公司

  公开号：CN117447497A

  公开（公告）日：2024-01-26

  本申请实施例公开了一种有机化合物、混合物、组合物、有机发光器件及显示面板，该有机化合物具有如通式(1)或(2)所示的结构。本申请通过在硼氮化合物中引入使化合物整体共轭性更大的基团，改善了材料性能，提高了有机发光器件的发光效率并延长了有机发光器件的使用寿命。#imgabs0#
• 一种三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：CN116063261A

  公开（公告）日：2023-05-05

  本发明提供了一种三胺衍生物及其有机电致发光器件，具体涉及有机电致发光技术领域。本发明所提供的三胺衍生物，具有较强的给电子能力，良好的空穴迁移率，合适的HOMO能级，能够有效降低空穴在有机层传输过程中的能量势垒，减少器件内部焦耳热的生成，增大空穴的传输能力，有效提高器件的发光效率，同时，该三胺衍生物还具有良好的折射率、高玻璃化转变温度、不易结晶成膜性好、热稳定性高不易分解以及增加器件内部光的取出效率，从而大大提高了有机电致发光器件的发光效率和延长器件的使用寿命。