[3-[3-(4-Methylphenyl)phenyl]phenyl] trifluoromethanesulfonate | 882971-95-1

• 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-(4-Methylphenyl)phenyl]phenyl] trifluoromethanesulfonate
• 英文别名: [3-[3-(4-methylphenyl)phenyl]phenyl] trifluoromethanesulfonate
• CAS: 882971-95-1
• 化学式: C₂₀H₁₅F₃O₃S
• 分子量: 392.399
• InChiKey: AEJCZMLJYINFGG-UHFFFAOYSA-N

物化性质

• 沸点：
  487.5±45.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [3-[3-(4-Methylphenyl)phenyl]phenyl] trifluoromethanesulfonate 在 palladium diacetate 吡啶 、 potassium fluoride 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 6.33h， 生成
  参考文献：
  名称：

  Repetitive Two-step Method for Oligoarene Synthesis through Rapid Cross-coupling of Hydroxyphenylboronic Acids and Anhydrides

  摘要：

  在钯催化的交叉偶联步骤中使用了羟基苯硼酸或酸酐，开发出了一种用于合成低聚烯烃的两步式 Suzuki-Miyaura 偶联-三氟化反应程序。

  DOI：

  10.1246/cl.2006.164
• 作为产物：
  描述：

  对苄基三氟甲磺酸 在 叔丁基锂 作用下， 以 吡啶 、 乙醚 、 二氯甲烷 、 正戊烷 为溶剂， 反应 2.99h， 生成 [3-[3-(4-Methylphenyl)phenyl]phenyl] trifluoromethanesulfonate
  参考文献：
  名称：

  重复两步法合成低聚芳烃的Negishi偶联策略

  摘要：

  开发了一种新颖的重复性两步法合成低聚芳烃的方法，该方法基于Negishi将氧化锌苯酚或氧化锌吡啶氧化物与芳基三氟甲磺酸酯交叉偶联，然后对羟基进行三氟甲磺酸酯化。优化了反应条件以制备芳基锌化合物和钯催化的交叉偶联步骤。

  DOI：

  10.1016/j.tetlet.2006.06.048

文献信息

• Repetitive Two-step Method for Oligoarene Synthesis through Rapid Cross-coupling of Hydroxyphenylboronic Acids and Anhydrides
  作者：Shunpei Ishikawa、Kei Manabe

  DOI：10.1246/cl.2006.164

  日期：2006.2

  A two-step Suzuki–Miyaura coupling–triflation procedure, which features the use of hydroxyphenylboronic acids or anhydrides in the palladium-catalyzed cross-coupling step, has been developed for the synthesis of oligoarenes.

  在钯催化的交叉偶联步骤中使用了羟基苯硼酸或酸酐，开发出了一种用于合成低聚烯烃的两步式 Suzuki-Miyaura 偶联-三氟化反应程序。
• COMPOSITIONS FOR ELECTRONIC APPLICATIONS
  申请人：E I DU PONT DE NEMOURS AND COMPANY

  公开号：US20160060512A1

  公开（公告）日：2016-03-03

  This invention relates to a composition including (a) a dopant, (b) a first host having at least one unit of Formula I, and (c) a second host compound having Formula II. The formulae have the structures: where Q is a fused ring linkage having the formula In Formula I: Ar 1 is an aromatic group including at least one electron-withdrawing group or a deuterated analog; Ar 2 is an aryl group, an aromatic group including at least one electron-withdrawing group or a deuterated analog; R 1 and R 2 are the same or different at each occurrence and are H, D, aryl or deuterated aryl. In Formula II: R 3 is the same or different at each occurrence and is D, aryl, or deuterated aryl, with the proviso that at least one R 3 is aryl or deuterated aryl; R 4 and R 5 are the same or different at each occurrence and are D, aryl, or deuterated aryl; a is an integer from 1-4; and b and c are the same or different and are an integer from 0-4.

  本发明涉及一种组合物，包括（a）掺杂剂，（b）至少具有一个I式单元的第一主体，和（c）具有II式的第二主体化合物。公式结构如下： 其中Q为具有以下式的融合环连接： 在I式中：Ar1为含有至少一个电子吸引基团或其氘代物的芳香基团；Ar2为芳基团，含有至少一个电子吸引基团或其氘代物；R1和R2在每次出现时相同或不同，并且为H、D、芳基或氘代芳基。在II式中：R3在每次出现时相同或不同，并且为D、芳基或氘代芳基，但至少有一个R3为芳基或氘代芳基；R4和R5在每次出现时相同或不同，并且为D、芳基或氘代芳基；a为1-4的整数；b和c相同或不同，且为0-4的整数。
• US9944846B2
  申请人：——

  公开号：US9944846B2

  公开（公告）日：2018-04-17
• [EN] COMPOSITIONS FOR ELECTRONIC APPLICATIONS<br/>[FR] COMPOSITIONS POUR APPLICATIONS ÉLECTRONIQUES
  申请人：DU PONT

  公开号：WO2016033167A1

  公开（公告）日：2016-03-03

  This invention relates to a composition including (a) a dopant, (b) a first host having at least one unit of Formula (I), and (c) a second host compound having Formula (II). The formulae have the structures: where Q is a fused ring linkage having the formula. In Formula (I): Ar1 is an aromatic group including at least one electron-withdrawing group or a deuterated analog; Ar2 is an aryl group, an aromatic group including at least one electron-withdrawing group or a deuterated analog; R1 and R2 are the same or different at each occurrence and are H, D, aryl or deuterated aryl. In Formula (II): R3 is the same or different at each occurrence and is D, aryl, or deuterated aryl, with the proviso that at least one R3 is aryl or deuterated aryl; R4 and R5 are the same or different at each occurrence and are D, aryl, or deuterated aryl; a is an integer from 1-4; and b and c are the same or different and are an integer from 0-4.
• Negishi coupling strategy of a repetitive two-step method for oligoarene synthesis
  作者：Haruka Shimizu、Kei Manabe

  DOI：10.1016/j.tetlet.2006.06.048

  日期：2006.8

  repetitive two-step method for oligoarene synthesis, based on Negishi cross-coupling of zinciophenoxides or zinciopyridinoxides with aryl triflates and subsequent triflation of the hydroxy group, was developed. Reaction conditions were optimized for the preparation of the arylzinc compounds and the palladium-catalyzed cross-coupling step.

  开发了一种新颖的重复性两步法合成低聚芳烃的方法，该方法基于Negishi将氧化锌苯酚或氧化锌吡啶氧化物与芳基三氟甲磺酸酯交叉偶联，然后对羟基进行三氟甲磺酸酯化。优化了反应条件以制备芳基锌化合物和钯催化的交叉偶联步骤。