3,3‘-(ethyne-1,2-diyl)di-aniline | 102852-93-7

• 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: 3,3‘-(ethyne-1,2-diyl)di-aniline
• 英文别名: 3,3'-(Ethyne-1,2-diyl)dianiline；3-[2-(3-aminophenyl)ethynyl]aniline
• CAS: 102852-93-7
• 化学式: C₁₄H₁₂N₂
• 分子量: 208.263
• InChiKey: PKVBYUDJYGWMSN-UHFFFAOYSA-N

物化性质

• 沸点：
  458.4±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

• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3,3‘-(ethyne-1,2-diyl)di-aniline 在 sodium azide 、 硫酸 、 sodium nitrite 作用下， 生成 1,2-bis(3-azidophenyl)acetylene
  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
• 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 3,3‘-(ethyne-1,2-diyl)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

• 一种碳硼烷-苝二酰亚胺衍生物及合成方法和 基于其的传感阵列及制备方法与应用
  申请人：陕西师范大学

  公开号：CN107698614B

  公开（公告）日：2019-08-06

  本发明公开了一类碳硼烷‑苝二酰亚胺衍生物及合成方法和基于其的传感阵列及制备方法与应用，属于小分子荧光传感薄膜材料技术领域。将碳硼烷‑苝二酰亚胺衍生物置于溶液中组装成具有较大比表面的纤维结构，再将其转移至不同基质表面，获得一种由多种荧光薄膜组成的传感阵列，该传感阵列可对六种重要毒品气体灵敏传感，且毒品样品无需任何处理，同时通过阵列组合，从而彻底消除了常见干扰物的干扰。本发明操作简便、反应条件温和，所制备的荧光传感薄膜稳定性好、使用寿命长，是一类优异的毒品气体传感薄膜阵列，将这类薄膜与商品荧光仪器联合使用可以实现毒品气体的灵敏检测。此外，经过传感薄膜器件化，也可以发展毒品气体专用检测仪。
• 一种多氟代环状膦酰胺二胺单体及其制备方法
  申请人：江汉大学

  公开号：CN111100167B

  公开（公告）日：2022-12-27

  本发明属于有机合成的技术领域，公开了种多氟代环状膦酰胺二胺单体及其制备方法。该制备方法合成步骤为:(1)在微波反应管中，依次加化合物1、化合物2、[RhCp*Cl2]2、Ag2CO3、NaHCO3和DCE，反应混合物置于微波合成仪中，在100～140℃下反应15～60min，冷却至室温，加入乙酸乙酯稀释后过滤并浓缩；(2)将步骤(1)得到的粗产品通过硅胶柱层析纯化，得到纯净的产物3。利用该方法可以得到含氟基团和含磷官能团的二胺单体，该二胺单体可以提高聚酰亚胺的溶解性、热稳定性以及阻燃性。
• An Improved Protocol for the Synthesis of [(η⁴-C₄R₄)Co(η⁵-C₅H₅)] Complexes
  作者：Guillaume Bertrand、Ludovic Tortech、Denis Fichou、Max Malacria、Corinne Aubert、Vincent Gandon

  DOI：10.1021/om200662g

  日期：2012.1.9

  The reaction of bulky alkynes C2R2 with (η5-C5H5)Co(CO)(dimethyl fumarate) under microwave irradiation provides complexes of the type [(η4-C4R4)Co(η5-C5H5)] in good to excellent yields. This protocol represents a significant improvement over those reported previously. In particular, the formation of insertion products such as cyclopentadienones or cyclohexadienes can be avoided. In addition, because

  笨重炔C的反应2 - [R 2与（η 5 -C 5 H ^ 5）的Co（CO）（富马酸二甲酯）在微波辐射下提供了式[（η的络合物4 -C 4 - [R 4）的Co（η 5 - C 5 H 5）]，收率良好。该协议表示对以前报告的协议的重大改进。特别地，可以避免形成插入产物，例如环戊二烯酮或环己二烯。此外，由于特殊的稳定性（的η 5 -C 5 H ^ 5）Co（CO）（富马酸二甲酯），反应可在粗溶剂中进行。容易进入[（η 4 -C 4 - [R 4）的Co（η 5 -C 5 H ^ 5）]配合物刺激的反应性的研究，特别是交叉偶联条件下进行。
• 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。
• 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
  作者：Mennatallah Abdallah、Mostafa M. Hamed、Efseveia Frakolaki、Sotirios Katsamakas、Niki Vassilaki、Ralf Bartenschlager、Grigoris Zoidis、Anna K.H. Hirsch、Mohammad Abdel-Halim、Ashraf H. Abadi

  DOI：10.1016/j.ejmech.2021.114034

  日期：2022.2