2-Methyl-[1]benzothiolo[3,2-d]pyrimidine | 97189-28-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 2-Methyl-[1]benzothiolo[3,2-d]pyrimidine
• CAS: 97189-28-1
• 化学式: C₁₁H₈N₂S
• 分子量: 200.264
• InChiKey: XUUCXKOLSDTENN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-Acetamido-benzothiophen 在 ammonium acetate 、 四氯化钛 作用下， 以 溶剂黄146 为溶剂， 生成 2-Methyl-[1]benzothiolo[3,2-d]pyrimidine
  参考文献：
  名称：

  Formylation of 3-acetamidobenzo[b]thiophene and preparation of benzothieno[3,2-d]pyrimidines

  摘要：

  DOI：

  10.1007/bf00504421

文献信息

• Organic Electroluminescent Materials and Devices
  申请人：Universal Display Corporation

  公开号：US20200274081A1

  公开（公告）日：2020-08-27

  A compound of Formula I wherein: ring B is a 5-membered heterocyclic ring, or a 6-membered carbocyclic ring; each of X 1 and X 2 is independently C, CR, or N, with at least one of them being C; each of X 3 -X 11 is independently C, CR, or N, with at least one of them being N, and two adjacent of X 3 -X 7 are carbon-fused to the shown moiety through the linkage indicated by the two squiggly lines; Y is selected from the group consisting of O, S, Se, NR′, CR′R″, and SiR′R″; each of R A and R B independently represents zero, mono, or up to a maximum allowed substitution to its associated ring; each of R, R′, R″, R A , and R B is independently a hydrogen or a substituent selected from the group consisting of —SiR 1 R 2 R 3 or —GeR 1 R 2 R 3 , deuterium, halogen, alkyl, cycloalkyl, heteroalkyl, heterocycloalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, boryl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carboxylic acid, ether, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof, with at least one of R A or R B comprising —SiR 1 R 2 R 3 or —GeR 1 R 2 R 3 ; each of R 1 , R 2 , and R 3 is independently selected from the group consisting of alkyl, aryl group, heteroaryl group, and combinations thereof; and any two substituents are optionally joined or fused to form a ring where chemically feasible.

  根据公式I的化合物 其中： 环B是5元的杂环，或者是6元的碳环； X1和X2各自独立为C、CR或N，其中至少有一个是C； X3-X11各自独立为C、CR或N，其中至少有一个是N，并且X3-X7的两个相邻碳与所示基团通过波浪线指示的连接方式碳融合； Y选自由O、S、Se、NR'、CR'R"和SiR'R"组成的组； RA和RB各自独立代表其相关环允许的最大取代数，零、单或至多； R、R'、R"、RA和RB各自独立为氢或选自—SiR1R2R3或—GeR1R2R3，氘，卤素，烷基，环烷基，杂烷基，杂环烷基，芳烷基，烷氧基，芳氧基，氨基，硅基，硼基，烯基，环烯基，杂烯基，炔基，芳基，杂芳基，酰基，羧酸，醚，酯，腈，异腈，硫anyl，亚磺酰基，磺酰基，磷基和它们的组合的取代基，其中至少一个RA或RB包含—SiR1R2R3或—GeR1R2R3； R1、R2和R3各自独立选自烷基，芳基组，杂芳基组和它们的组合；并且 任意两个取代基可选择性连接或融合成环，在化学上可行的话。
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20180083203A1

  公开（公告）日：2018-03-22

  This invention discloses novel polycyclic heteroaromatic compound core structures. These compounds can be used as hosts for PHOLEDs

  这项发明揭示了新颖的多环杂芳化合物核心结构。这些化合物可以用作PHOLED的宿主。
• Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Apparatus, and Lighting Device
  申请人：Semiconductor Energy Laboratory Co., Ltd.

  公开号：US20200216428A1

  公开（公告）日：2020-07-09

  A novel compound is provided. In addition, a light-emitting element with high emission efficiency and a long lifetime is provided. An organic compound represented by General Formula (G0), including a dibenzocarbazole skeleton and two amine skeletons. In General Formula (G0), A represents a substituted or unsubstituted dibenzocarbazole skeleton. The dibenzocarbazole skeleton and the amine skeletons may be bonded to each other through or not through an arylene group. In addition, a light-emitting element including the compound is provided.

  提供了一种新型化合物。此外，提供了一种具有高发射效率和长寿命的发光元件。一种由通用公式（G0）表示的有机化合物，包括一个二苯并咔唑骨架和两个胺骨架。在通用公式（G0）中，A代表一个取代或未取代的二苯并咔唑骨架。二苯并咔唑骨架和胺骨架可以通过芳基或非芳基团相互结合或不相互结合。此外，提供了一种包含该化合物的发光元件。
• Condensed cyclic compound and organic light-emitting device including the same
  申请人：Samsung Electronics Co., Ltd.

  公开号：US10040794B2

  公开（公告）日：2018-08-07

  A condensed cyclic compound represented by Formulae 1A or 1B: wherein in Formulae 1A and 1 B, groups, rings, substituents, and variables are defined in the detailed description.

  由式 1A 或 1B 表示的缩合环状化合物： 其中，在式 1A 和 1B 中，基团、环、取代基和变量的定义见详细说明。
• Organic electroluminescent materials and devices
  申请人：Universal Display Corporation

  公开号：US10208026B2

  公开（公告）日：2019-02-19

  A compound having the structure of Formula I, A-L-B-M-D, is disclosed. In the structure of Formula I: A is selected from L is a linker selected from a single bond, an aryl group, a heteroaryl group, and combinations thereof, and may be further substituted; L-B-M has the structure: M is selected from an aryl group, a heteroaryl group, and combinations thereof, and may be further substituted; D has the structure: X is O, S, Se, or CR′R″; X1-X8, Y1-Y12, Z1, Z3-Z8, and Z11-Z18 are each independently N or CR; each R, R′, and R″ are selected from a wide variety of substituents; where adjacent R substituents can form a fused ring; and R′ and R″ can form a ring. Formulations and devices, such as an OLEDs, that include the compound of Formula I are also described.

  本发明公开了一种具有式 I（A-L-B-M-D）结构的化合物。在式 I 的结构中 A 选自 L 是选自单键、芳基、杂芳基及其组合的连接体，可被进一步取代； L-B-M 的结构如下 M 选自芳基、杂芳基及其组合，并可被进一步取代； D 具有以下结构 X为O、S、Se或CR′R″；X1-X8、Y1-Y12、Z1、Z3-Z8和Z11-Z18各自独立地为N或CR；各R、R′和R″选自多种取代基；其中相邻的R取代基可形成融合环；R′和R″可形成环。还描述了包括式 I 化合物的制剂和设备，如 OLED。