3-((4-aminophenyl)ethynyl)di-aniline | 85765-60-2

• 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: 3-((4-aminophenyl)ethynyl)di-aniline
• 英文别名: (3-amino-phenyl)-(4-amino-phenyl)-acetylene；(3-Amino-phenyl)-(4-amino-phenyl)-acetylen；3.4'-Diamino-tolan；3-((4-Aminophenyl)ethynyl)aniline；3-[2-(4-aminophenyl)ethynyl]aniline
• CAS: 85765-60-2
• 化学式: C₁₄H₁₂N₂
• 分子量: 208.263
• InChiKey: PMLNYCKAQNZOIT-UHFFFAOYSA-N

物化性质

• 熔点：
  124-125 °C
• 沸点：
  443.9±30.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险类别：
  8
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340+P312,P305+P351+P338,P310,P332+P313,P362,P403+P233,P405,P501
• 危险品运输编号：
  3259
• 危险性描述：
  H315,H318,H335
• 包装等级：
  III

反应信息

• 作为反应物：
  描述：

  3-((4-aminophenyl)ethynyl)di-aniline 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 生成 methyl ((S)-1-((S)-2-((4-((3-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidine-2-carboxamido) phenyl)ethynyl)phenyl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
  参考文献：
  名称：

  Redesigning of the cap conformation and symmetry of the diphenylethyne core to yield highly potent pan-genotypic NS5A inhibitors with high potency and high resistance barrier

  摘要：

  DOI：

  10.1016/j.ejmech.2021.114034
• 作为产物：
  描述：

  3-硝基苯乙炔 在 吡啶 、 ammonium hydroxide 、 copper(l) iodide 、 铁粉 、 溶剂黄146 作用下， 反应 4.33h， 生成 3-((4-aminophenyl)ethynyl)di-aniline
  参考文献：
  名称：

  Magnetic interaction between the triplet centers in ethynylenebis(phenylnitrenes) and 1,3-butadiyne-1,4-diylbis(phenylnitrenes)

  摘要：

  The magnetic interaction of the two triplet phenylnitrene units linked together through an acetylene or a diacetylene linkage has been investigated by ESR spectroscopy. Two regioisomeric (meta,para' and meta,meta') diazides of 1,2-diphenylacetylene 12a and 1,4-diphenyl- 1,3-butadiyne 13a were prepared and photolyzed in a 2-methyltetrahydrofuran glass at 10 K to give the corresponding dinitrenes 12n and 13n. The m,p'-dinitrenes of 12n and 13n showed intense quintet signals which obeyed a Curie law in the temperature range 12-85 K. The m,m'-dinitrenes of 12n and 13n showed signals due to the thermally populated quintet states, the intensities of which reached a maximum at 50 and 28 K for 12n and 13n, respectively. It is concluded that the two remote phenylnitrene units in 12n and 13n interact sufficiently strongly through bonds to form quintet states that are concluded to be the ground state in the meta,para' isomers as predicted by theory. In the meta,meta' isomers, the quintet states are thermally populated from ground singlet states, the energy gaps between the two states (ca. 200 and 100 cal/mol for -C = C- and -C = C-C = C-, respectively) being dependent reasonably upon the distance between the two moieties. The results serve as good guiding principles for designing high-spin conjugated polymers with pendant radical centers.

  DOI：

  10.1021/ja00015a005

文献信息

• ALIGNING AGENT FOR LIQUID CRYSTAL
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP0980016A1

  公开（公告）日：2000-02-16

  The present invention relates to a treating agent for liquid crystal alignment, which is an agent for liquid crystal alignment to be used for a method in which polarized ultraviolet rays or electron rays are irradiated on a polymer thin film formed on a substrate in a predetermined direction relative to the substrate plane, and said substrate is used for aligning liquid crystal without rubbing treatment, wherein said agent for liquid crystal alignment contains a polymer compound having photochemically reactive groups in the polymer main chain and a glass transition temperature of at least 200°C.

  本发明涉及一种用于液晶配向的处理剂，它是一种用于液晶配向的处理剂，在该方法中，偏振紫外线或电子射线按相对于基底平面的预定方向照射在基底上形成的聚合物薄膜上，所述基底用于配向液晶而无需摩擦处理，其中所述液晶配向剂含有一种聚合物化合物，该聚合物化合物在聚合物主链中具有光化学反应基团，玻璃化温度至少为 200°C。
• Harrison, Journal of the Chemical Society, 1926, p. 1236
  作者：Harrison

  DOI：——

  日期：——
• LIQUID CRYSTAL DISPLAY DEVICE HAVING RETARDATION FILM FORMED OF LIQUID CRYSTALLINE POLYIMIDE HAVING PHOTOREACTIVE GROUP
  申请人：Saigusa Kazuhiko

  公开号：US20120113338A1

  公开（公告）日：2012-05-10

  In a liquid crystal display device having a plurality of retardation films for alleviating a deterioration in display quality depending on a viewing angle direction, and a driving liquid crystal layer selected from the group consisting of a driving liquid crystal layer typified by a VA mode wherein a liquid crystal molecule in a driving liquid crystal medium is aligned perpendicular to a substrate when no electric field is applied, a driving liquid crystal layer typified by an IPS mode wherein a liquid crystal molecule in a driving liquid crystal medium is aligned parallel to the substrate when no electric field is applied, and a driving liquid crystal layer that shows optical isotropy when no voltage is applied, a retardation film of a positive A-plate formed of a liquid crystalline polyimide having a photoreactive group is used as at least one layer of the plurality of retardation films.
• US6274695B1
  申请人：——

  公开号：US6274695B1

  公开（公告）日：2001-08-14
• US8730435B2
  申请人：——

  公开号：US8730435B2

  公开（公告）日：2014-05-20