dithienylbutadiene | 1062184-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: dithienylbutadiene
• 英文别名: 2-(1-Thiophen-2-ylbuta-1,3-dienyl)thiophene
• CAS: 1062184-57-9
• 化学式: C₁₂H₁₀S₂
• 分子量: 218.343
• InChiKey: YQEOPVJNMUVUAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dithienylbutadiene 、 1,2-二(2-甲基-2-丙基)-3-二氮杂环丙二酮 在 (S)-(+)-5,5'-双[二(3,5-二叔丁基-4-甲氧基苯基)膦]-4,4'-二-1,3-苯并二氧戊环 、 copper(l) chloride 作用下， 以 氘代苯 、 甲苯 为溶剂， 反应 20.0h， 以79%的产率得到1,3-Ditert-butyl-4-(2,2-dithiophen-2-ylethenyl)imidazolidin-2-one
  参考文献：
  名称：

  Cu(I)-催化的共轭二烯的不对称二胺化。

  摘要：

  使用 (R)-DTBM-SEGPHOS 作为手性配体和二叔丁基二氮丙啶酮作为氮源，已经有效地实现了 Cu(I) 催化的各种共轭二烯和三烯的不对称二胺化，并具有令人鼓舞的 ee's。

  DOI：

  10.1021/ol801605w

文献信息

• [EN] COMPOUNDS CONTAINING A PENTALENE UNIT AND PROCESS FOR THEIR PREPARATION<br/>[FR] COMPOSÉS CONTENANT UNE UNITÉ PENTALÈNE ET PROCÉDÉ POUR LEUR PRÉPARATION
  申请人：ENI SPA

  公开号：WO2015015368A1

  公开（公告）日：2015-02-05

  Compound containing a pentalene unit having general formula (I) wherein R1 and R2, equal to or different from each other, are selected from: linear or branched C1-C20, preferably C2-C12, alkyl groups, saturated or unsaturated, optionally containing heteroatoms, cycloalkyl groups optionally substituted, linear or branched C1-C20, preferably C2-C12, alkoxyl groups, saturated or unsaturated, optionally substituted; or the groups R1 and R2 can be optionally bound to each other so as to form, together with the carbon atoms to which they are bound, a cycle or a polycyclic system containing from 3 to 14 carbon atoms, preferably from 4 to 6 carbon atoms, saturated, unsaturated, or aromatic, optionally containing one or more heteroatoms such as, for example, oxygen, sulfur, nitrogen, silicon, phosphorous, selenium; R3 is selected from aryl groups optionally substituted, heteroaryl groups optionally substituted; n is 0 or 1; with the proviso that: when n is 0, X represents a covalent bond and Y represents a sulfur atom (S); when n is 1, X is equal to Y, and represents a CH group, or a nitrogen atom (N). Said compound containing a pentalene unit, as such or after suitable functionalization and polymerization, can be advantageously used in the construction of photovoltaic devices (or solar devices) such as, for example, photovoltaic cells (or solar cells), photovoltaic modules (or solar modules), on both rigid and flexible supports. Said compound containing a pentalene unit can also be advantageously used as a constitutive unit of luminescent solar concentrators (LSCs). Furthermore, said compound containing a pentalene unit can be advantageously used as precursor of monomeric units in the preparation of semiconductor polymers.

  含有蒽环单元的化合物具有通式（I），其中R1和R2，相等或不同于彼此，选自：线性或支链的C1-C20，优选C2-C12，烷基基团，饱和或不饱和，可选地含有杂原子，环烷基基团可选地取代，线性或支链的C1-C20，优选C2-C12，烷氧基基团，饱和或不饱和，可选地取代；或基团R1和R2可以选择性地相互结合，以便与它们结合的碳原子一起形成，含有从3到14个碳原子，优选从4到6个碳原子的环或多环系统，饱和、不饱和或芳香族，可选地含有一个或多个杂原子，例如氧、硫、氮、硅、磷、硒；R3选自可选取代的芳基基团，可选取代的杂芳基基团；n为0或1；但条件是：当n为0时，X代表共价键，Y代表硫原子（S）；当n为1时，X等于Y，并代表一个CH基团或一个氮原子（N）。所述含有蒽环单元的化合物，本身或经适当功能化和聚合后，可有益地用于光伏器件（或太阳能器件）的构建，例如光伏电池（或太阳能电池）、光伏模块（或太阳能模块），可在刚性和柔性支撑上使用。所述含有蒽环单元的化合物还可有益地用作发光太阳能集中器（LSCs）的组成单元。此外，所述含有蒽环单元的化合物可有益地用作半导体聚合物的单体单元的前体。
• COMPOUNDS CONTAINING A PENTALENE UNIT AND PROCESS FOR THEIR PREPARATION
  申请人：ENI S.P.A.

  公开号：US20160090371A1

  公开（公告）日：2016-03-31

  Compound containing a pentalene unit having general formula (I) wherein R 1 and R 2 , equal to or different from each other, are selected from: linear or branched C 1 -C 20 , preferably C 2 -C 12 , alkyl groups, saturated or unsaturated, optionally containing heteroatoms, cycloalkyl groups optionally substituted, linear or branched C 1 -C 20 , preferably C 2 -C 12 , alkoxyl groups, saturated or unsaturated, optionally substituted; or the groups R 1 and R 2 can be optionally bound to each other so as to form, together with the carbon atoms to which they are bound, a cycle or a polycyclic system containing from 3 to 14 carbon atoms, preferably from 4 to 6 carbon atoms, saturated, unsaturated, or aromatic, optionally containing one or more heteroatoms such as, for example, oxygen, sulfur, nitrogen, silicon, phosphorous, selenium; R 3 is selected from aryl groups optionally substituted, heteroaryl groups optionally substituted; n is 0 or 1; with the proviso that: when n is 0, X represents a covalent bond and Y represents a sulfur atom (S); when n is 1, X is equal to Y, and represents a CH group, or a nitrogen atom (N). Said compound containing a pentalene unit, as such or after suit able functionalization and polymerization, can be advantageously used in the construction of photovoltaic devices (or solar devices) such as, for example, photovoltaic cells (or solar cells), photovoltaic modules (or solar modules), on both rigid and flexible supports. Said compound containing a pentalene unit can also be advantageously used as a constitutive unit of luminescent solar concentrators (LSCs). Furthermore, said compound containing a pentalene unit can be advantageously used as precursor of monomeric units in the preparation of semiconductor polymers.

  含有五环戊二烯单元的化合物具有通式(I)，其中R1和R2，相等或不同，选择自：线性或支链的C1-C20，优选C2-C12，烷基，饱和或不饱和，可选含有杂原子，环烷基，可选取代，线性或支链的C1-C20，优选C2-C12，烷氧基，饱和或不饱和，可选取代；或R1和R2可以选择性地彼此结合，以便与它们结合的碳原子一起形成含有3至14个碳原子的环或多环系统，优选4至6个碳原子，饱和，不饱和或芳香，可选含有一个或多个杂原子，例如氧，硫，氮，硅，磷，硒; R3选择自可选取代的芳基或杂芳基; n为0或1; 前提是：当n为0时，X表示共价键，Y表示硫原子（S）; 当n为1时，X等于Y，并表示一个CH基团或一个氮原子（N）。该含有五环戊二烯单元的化合物，本身或经过适当的功能化和聚合后，可以优势地用于刚性和柔性支撑物上的光伏器件（或太阳能器件），例如光伏电池（或太阳电池），光伏模块（或太阳能模块）。该含有五环戊二烯单元的化合物还可以优势地用作发光太阳能集中器（LSCs）的组成单元。此外，该含有五环戊二烯单元的化合物可以优势地用作半导体聚合物的单体单位的前体。
• US9776984B2
  申请人：——

  公开号：US9776984B2

  公开（公告）日：2017-10-03