2-[2-(Dicyanomethylidene)-5,10-bis(2-ethylhexyl)-[1]benzothiolo[7,6-g][1]benzothiol-7-ylidene]propanedinitrile | 1569744-55-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[2-(Dicyanomethylidene)-5,10-bis(2-ethylhexyl)-[1]benzothiolo[7,6-g][1]benzothiol-7-ylidene]propanedinitrile
• CAS: 1569744-55-3
• 化学式: C₃₆H₃₈N₄S₂
• 分子量: 590.857
• InChiKey: QLHGVBLFKNDWCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  146
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-乙基-1-己烯 在 正丁基锂 、 四丁基氟化铵 、 sodium hydride 、 9-硼双环[3.3.1]壬烷 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 mineral oil 为溶剂， 反应 48.0h， 生成 2-[2-(Dicyanomethylidene)-5,10-bis(2-ethylhexyl)-[1]benzothiolo[7,6-g][1]benzothiol-7-ylidene]propanedinitrile
  参考文献：
  名称：

  Quinoidal Naphtho[1,2-b:5,6-b′]dithiophenes for Solution-Processed n-Channel Organic Field-Effect Transistors

  摘要：

  A series of new quinoidal naphthodithiophenes, 2,7-bis(alpha,alpha-dicyanomethylene)-2,7-dihydronaphtho[1,2-b:5,6-b']dithiophenes, in which all the four fused aromatic rings are incorporated into the quinoidal system, were synthesized and evaluated as an n-channel organic semiconductor. Solution-processed field-effect transistors exhibited typical n-channel transistor characteristics with the mobility as high as 0.1 cm(2) V-1 s(-1), which is higher by more than I order of magnitude than those reported for isomeric quinoidal naphthodithiophenes having a naphthoquinoidal structure.

  DOI：

  10.1021/ol5000567

文献信息

• Novel Condensed Polycyclic Aromatic Compound And Use Thereof
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：US20160013428A1

  公开（公告）日：2016-01-14

  [Problem] To provide: a novel compound which has high mobility and on/off ratio and is useful for organic electronic devices; and a method for producing the compound. [Solution] A condensed polycyclic aromatic compound which is represented by general formula (1). (In the formula, A represents a 1,5-dihydronaphthalene ring or a 2,6-dihydronaphthalene ring; each of R 1 , R 2 , R 3 and R 4 independently represents a hydrogen atom, a halogen atom, a substituted or unsubstituted aliphatic hydrocarbon group, a substituted or unsubstituted alicyclic hydrocarbon group, a substituted or unsubstituted aromatic hydrocarbon group, a substituted or unsubstituted hydrocarbon oxy group, a substituted or unsubstituted ester group, a substituted or unsubstituted acyl group, or a substituted or unsubstituted cyano group; and each of X 1 and X 2 independently represents an oxygen atom, a sulfur atom or a selenium atom.)