2,3,5,6-四(3,6-二苯基-9-咔唑基)-1,4-苯二腈 | 1469705-37-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 2,3,5,6-四(3,6-二苯基-9-咔唑基)-1,4-苯二腈
• 英文名称: 2,4,5,6-tetrakis(3,6-diphenyl-9H-carbazol-9-yl)isophthalonitrile
• 英文别名: 2,4,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
• CAS: 1469705-37-0
• 化学式: C₁₀₄H₆₄N₆
• 分子量: 1397.69
• InChiKey: JKYHVKMIXLRMJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.7
• 重原子数：
  110
• 可旋转键数：
  12
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,6-二苯基咔唑 、 2,4,5,6-四氟间苯二甲腈 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 12.5h， 生成 2,3,5,6-四(3,6-二苯基-9-咔唑基)-1,4-苯二腈
  参考文献：
  名称：

  4CzIPN-tBu 催化的质子耦合电子转移用于磷酸化 N-杂芳烃的光合作用

  摘要：

  2,4,5,6-四（3,6-二叔丁基-9H-咔唑-9-基）间苯二甲腈（4CzIPN-tBu）被开发作为磷自由基引发的级联环化反应的光催化剂异氰化物。通过使用 4CzIPN-tBu 作为催化剂，我们开发了一种用于产生以磷为中心的自由基的可见光诱导质子耦合电子转移策略，通过该策略成功构建了广泛的磷酸化菲啶、喹啉和苯并噻唑。

  DOI：

  10.1021/jacs.0c11138
• 作为试剂：
  描述：

  1-氟-4-[(4-氟苯基)二硫烷基]苯 、 N-tert-butoxycarbonyl-proline 在 dipotassium hydrogenphosphate 、 2,3,5,6-四(3,6-二苯基-9-咔唑基)-1,4-苯二腈 作用下， 以 二氯甲烷 为溶剂， 反应 56.0h， 以47%的产率得到tert-butyl 2-((4-fluorophenyl)thio)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  一种硫醚化合物的光催化合成方法

  摘要：

  本发明属于有机合成领域，具体涉及一种硫醚化合物的光催化合成方法。所述方法为将羧酸类化合物式、无毒无臭的硫化试剂二硫醚类化合物式、光催化剂和碱加入溶剂，在惰性气体保护和光照条件下进行反应，反应结束后经后处理得到式所示的硫醚化合物。本发明试剂和底物简单经济廉价易得，摒弃了传统工艺中有刺激气味的硫酚试剂，利用无金属可见光催化体系，通过脱羧完成C‑S键的偶联反应。反应操作简单、条件温和，且反应高效、底物适应性好，可以实现多种不同基团的底物的偶联，并有选择性的、高效的一步构建C‑S键化合物，这类化合物在医药合成中间体有很大的应用前景，对复杂的含硫化合物的构建具有十分重要的意义。

  公开号：

  CN114292220A

文献信息

• Photophysical Properties and Efficient, Stable, Electrogenerated Chemiluminescence of Donor-Acceptor Molecules Exhibiting Thermal Spin Upconversion
  作者：Ryoichi Ishimatsu、Tomohiko Edura、Chihaya Adachi、Koji Nakano、Toshihiko Imato

  DOI：10.1002/chem.201600077

  日期：2016.3.24

  The photophysical properties and electrogenerated chemiluminescence (ECL) of three donor–acceptor molecules composed of dicyanobenzene and methyl‐, tert‐butyl‐, and phenyl‐substituted carbazolyl groups, 1,2,3,5‐tetrakis(3,6‐disubstituted‐carbazol‐9‐yl)‐4,6‐dicyanobenzene (4CzIPN‐Me, 4CzIPN‐tBu, and 4CzIPN‐Ph, respectively) are described. These molecules show delayed fluorescence as a result of thermal

  由三氰基苯和甲基，叔丁基和苯基取代的咔唑基，1,2,3,5-四（3,6-二取代的-）组成的三个供体-受体分子的光物理性质和电化学发光（ECL）描述了咔唑-9-基）-4,6-二氰基苯（分别为4CzIPN-Me，4CzIPN- t Bu和4CzIPN-Ph）。这些分子由于在室温下从最低的三重态到最低的单重态热自旋上转换而显示出延迟的荧光。这三个分子显示黄色至淡黄色红色ECL。值得注意的是，4CzIPN-的ECL效率吨卜在二氯甲烷几乎达到了40％。此外，稳定的ECL从4CzIPN-发射吨Bu和4CzIPN‐Ph。对于4CzIPN-Me，由于聚合，在电压周期内ECL强度会降低。量子化学计算表明，聚合反应由笨重的空间位阻抑制了叔丁基和苯基的咔唑基结构部分，并通过4CzIPN-PH电子共轭降低在咔唑基的自旋密度。
• LIGHT-EMITTING ELEMENT MATERIAL CONTAINING PYRROMETHENE BORON COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE
  申请人：Toray Industries, Inc.

  公开号：US20220407007A1

  公开（公告）日：2022-12-22

  The present invention provides a pyrromethene boron complex represented by the general formula (1), a light emitting element material having high luminance efficiency, and a light emitting element: wherein X 1 and X 2 each may be the same or different, and are selected from the group consisting of an alkyl group, a cycloalkyl group, a heterocyclic group, an alkenyl group, a cycloalkenyl group, an alkynyl group, a hydroxyl group, a thiol group, an alkoxy group, a cycloalkoxy group, an alkylthio group, an aryl ether group, an aryl thioether group, an aryl group, a heteroaryl group, halogen and a cyano group. These functional groups may further have a substituent. Ar 1 to Ar 4 each may be the same or different, and are a substituted or unsubstituted aryl group, or a substituted or unsubstituted heteroaryl group. The aryl group and the heteroaryl group may be either a monocyclic ring or a fused ring. However, when one or both of Ar 1 and Ar 2 is/are monocyclic ring(s), the monocyclic ring has one or more secondary alkyl groups, one or more tertiary alkyl groups, one or more aryl groups, or one or more heteroaryl groups as substituents, or has a methyl group and a primary alkyl group as two or more substituents in total. R 1 and R 2 each may be the same or different, and are a substituted or unsubstituted alkyl group, a substituted or unsubstituted aryl group, or a substituted or unsubstituted heteroaryl group. R 3 to R 5 each may be the same or different, and are selected from the group consisting of a hydrogen atom, an alkyl group, a cycloalkyl group, a heterocyclic group, an alkenyl group, a cycloalkenyl group, an alkynyl group, an aryl group, a heteroaryl group, a hydroxyl group, a thiol group, an alkoxy group, an alkylthio group, an aryl ether group, an aryl thioether group, halogen, a cyano group, an aldehyde group, an acyl group, a carboxyl group, an ester group, an amide group, a sulfonyl group, a sulfonic acid ester group, a sulfonamide group, an amino group, a nitro group, a silyl group, and a ring structure with an adjacent group. These functional groups may further have a substituent. R 6 and R 7 each may be the same or different, and are selected from the group consisting of a hydrogen atom, an alkyl group, a cycloalkyl group, a heterocyclic group, an alkenyl group, a cycloalkenyl group, an alkynyl group, an aryl group, a heteroaryl group, a hydroxyl group, a thiol group, an alkoxy group, an alkylthio group, an aryl ether group, an aryl thioether group, halogen, a cyano group, an aldehyde group, an acyl group, a carboxyl group, an ester group, an amide group, a sulfonyl group, a sulfonic acid ester group, a sulfonamide group, an amino group, a nitro group and a silyl group. However, R 6 may be a bridging structure formed by covalent bond via one or two atoms with Ar 4 , and R 7 may be a bridging structure formed by covalent bond via one or two atoms with Ar 3 . These functional groups may further have a substituent.