1-Methylbenzothieno<2,3-c>pyridin | 23962-32-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: 1-Methylbenzothieno<2,3-c>pyridin
• 英文别名: 1-Methyl<1>benzothieno<2,3-c>pyridin；1-methyl-benzo[4,5]thieno[2,3-c]pyridine；1-Methyl-benzo[4,5]thieno[2,3-c]pyridin；1-Methyl-benzo[4,5]thieno[2,3-c]pyridine；1-methyl-[1]benzothiolo[2,3-c]pyridine
• CAS: 23962-32-5
• 化学式: C₁₂H₉NS
• 分子量: 199.276
• InChiKey: LXMXKCYKKMNKPF-UHFFFAOYSA-N

物化性质

• 熔点：
  109 °C
• 沸点：
  364.3±22.0 °C(Predicted)
• 密度：
  1.272±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(苯并[b]噻吩-3-基)乙胺 在 sodium hydroxide 、 phosphorus pentoxide 、 钯 、 xylene 、 三氯氧磷 作用下， 生成 1-Methylbenzothieno<2,3-c>pyridin
  参考文献：
  名称：

  Sulfur Analogs of β-Carbolines

  摘要：

  DOI：

  10.1021/ja01167a047

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：US20150266863A1

  公开（公告）日：2015-09-24

  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″; X 1 -X 8 , Y 1 -Y 12 , Z 1 , Z 3 -Z 8 , and Z 11 -Z 18 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.

  揭示了具有Formula I结构的化合物A-L-B-M-D。在Formula I的结构中：A是从中选择的L是从单键、芳基、杂环基和它们的组合中选择的连接剂，并且可能进一步取代；L-B-M具有结构：M是从芳基、杂环基和它们的组合中选择的，并且可能进一步取代；D具有结构：X是O、S、Se或CR′R″；X1-X8、Y1-Y12、Z1、Z3-Z8和Z11-Z18分别独立地为N或CR；每个R、R′和R″从各种不同的取代基中选择；相邻的R取代基可以形成融合环；而R′和R″可以形成环。还描述了包括Formula I化合物的制剂和器件，如OLEDs。
• Some derivatives of [1]benzothieno[2,3-c]pyridine and [1]benzothieno[3,2-c]pyridine
  作者：K. Clarke、C. G. Hughes、A. J. Humphries、R. M. Scrowston

  DOI：10.1039/j39700001013

  日期：——

  4-dihydro[1]benzothieno[2,3-c]pyridine derivatives (I) have been prepared by Bischler–Napieralski cyclisation of the N-acetyl or N-benzoyl derivative of the appropriate 2-(5-substituted 3-benzo[b]thienyl) ethylamine. Attempts to prepare 3,4-dihydro-1-(3,4-dimethoxybenzyl)[1]benzothieno[2,3-c] pyridine and its 6-chloro-analogue by a similar method gave the 1-(3,4-dimethoxybenzoyl) derivative in each case

  1,6-二取代的3,4-二氢[1]苯并噻吩并[2,3- c ]吡啶衍生物（I）是通过Bischler-Napieralski环化适当的2-（-）的N-乙酰基或N-苯甲酰基衍生物制备的5-取代的3-苯并[ b ]噻吩基）乙胺。尝试制备3,4-二氢-1-（3,4-二甲氧基苄基）[1]苯并噻吩并[2,3- c通过类似的方法，通过吡啶和其6-氯类似物，分别得到1-（3,4-二甲氧基苯甲酰基）衍生物。用硼氢化钠将3,4-二氢衍生物（I）还原为相应的1,2,3,4-四氢衍生物（II），并用钯制木炭将其脱氢为完全芳族化合物（III）。也可以通过适当的2-（5-取代的3-苯并[ b ]噻吩基）乙胺与乙醛或苯甲醛的Pictet-Spengler反应制备四氢化合物（II）。
• HOST MATERIALS FOR ELECTROLUMINESCENT DEVICES
  申请人：Universal Display Corporation

  公开号：US20200190103A1

  公开（公告）日：2020-06-18

  A compound of Formula I wherein X 1 and X 2 are independently CR X or N, and at least one of X 1 or X 2 is CR X ; Y is selected from the group consisting of O, S, Se, NR′, BR′, CR′R″, and SiR′R″; R′, and R″ are each independently selected from the group consisting of alkyl, cycloalkyl, heteroalkyl, heterocycloalkyl, aryl, heteroaryl, and combinations thereof; R is selected from the group consisting of deuterium, halogen, alkyl, cycloalkyl, heteroalkyl, heterocycloalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carboxylic acid, ether, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof; R A , and R C each independently represent mono to the maximum allowable substitution, or no substitution; and each R X , R A , and R C is independently a hydrogen or a substituent selected from the group consisting of deuterium, halogen, alkyl, cycloalkyl, heteroalkyl, heterocycloalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carboxylic acid, ether, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof, and wherein any two substituents R X , R A , and R C may be optionally joined to form a ring, with the proviso that R does not join with R A to form a ring.

  公式I的化合物，其中X1和X2分别独立地为CRX或N，且X1或X2中至少有一个为CRX；Y选自O、S、Se、NR′、BR′、CR′R″和SiR′R″组成的群；R′和R″各自独立地选自烷基、环烷基、杂原子烷基、杂原子环烷基、芳基、杂芳基及其组合物的群；R选自氘、卤素、烷基、环烷基、杂原子烷基、杂原子环烷基、芳基烷基、烷氧基、芳氧基、氨基、硅基、烯基、环烯基、杂原子烯基、炔基、芳基、杂芳基、酰基、羧酸基、醚、酯、腈、异腈、硫基、亚硫基、砜基、膦基及其组合物的群；RA和RC各自独立地表示单取代至最大允许取代，或无取代；每个RX、RA和RC独立地为氢或选自氘、卤素、烷基、环烷基、杂原子烷基、杂原子环烷基、芳基烷基、烷氧基、芳氧基、氨基、硅基、烯基、环烯基、杂原子烯基、炔基、芳基、杂芳基、酰基、羧酸基、醚、酯、腈、异腈、硫基、亚硫基、砜基、膦基及其组合物的取代基，且任意两个取代基RX、RA和RC可选择性地结合形成环，但R不与RA结合形成环。
• ORGANIC MATERIALS FOR OLEDS
  申请人：UNIVERSAL DISPLAY CORPORATION

  公开号：US20150207082A1

  公开（公告）日：2015-07-23

  A novel compound based on aza- and diazodibenzofurans; aza- and diaza dibenzothiophenes, such as benzothieno- and benzofuropyrimidines as well as benzothieno- and benzofuropyrazines useful for electron-transporting host material in green, red, yellow, and white phosphorescent emitting devices is disclosed.

  本发明揭示了一种基于氮杂二苯并呋喃和氮杂二苯并噻吩的新化合物；例如苯并噻吩和苯并呋吡啶以及苯并噻吩和苯并呋吡嗪，这些化合物可用作绿色、红色、黄色和白色磷光发射器件中的电子传输宿主材料。