3-methyl-12H-benzo[4,5]thieno[2,3-a]carbazole | 63039-87-2

• 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
• 英文名称: 3-methyl-12H-benzo[4,5]thieno[2,3-a]carbazole
• 英文别名: 3-Methyl-12H-benzo[4,5]thieno[2,3-a]carbazol；3-methyl-12H-[1]benzothieno[2,3-a]carbazole；3-methyl-12H-[1]benzothiolo[2,3-a]carbazole
• CAS: 63039-87-2
• 化学式: C₁₉H₁₃NS
• 分子量: 287.385
• InChiKey: ZTNSHECBNMFAEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-methyl-12H-benzo[4,5]thieno[2,3-a]carbazole 、 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 N-甲基吡咯烷酮 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  化合物、有機エレクトロルミネッセンス素子用材料、有機エレクトロルミネッセンス素子、および電子機器

  摘要：

  提供具有优秀性能用于有机EL器件的化合物。化合物由式（1）至（3）中的任一表示。在式（1）至（3）中，R1和R2分别为含氮缩合环化合物、Carbazole类化合物，但R1和R2不同。【选择图】无

  公开号：

  JP2020158436A
• 作为产物：
  描述：

  2-氯-4-甲基苯胺 在 tris-(dibenzylideneacetone)dipalladium(0) 、 palladium diacetate 、 potassium carbonate 、 sodium t-butanolate 、 1,3-双(2,6-二异丙基苯基)氯化咪唑鎓 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 N,N-二甲基乙酰胺 、 甲苯 为溶剂， 反应 14.0h， 生成 3-methyl-12H-benzo[4,5]thieno[2,3-a]carbazole
  参考文献：
  名称：

  化合物、有機エレクトロルミネッセンス素子用材料、有機エレクトロルミネッセンス素子、および電子機器

  摘要：

  提供具有优秀性能用于有机EL器件的化合物。化合物由式（1）至（3）中的任一表示。在式（1）至（3）中，R1和R2分别为含氮缩合环化合物、Carbazole类化合物，但R1和R2不同。【选择图】无

  公开号：

  JP2020158436A

文献信息

• Synthesis of Pentacyclic Heteroaromatic Systems Related to Indolocarbazoles Alkaloids.
  作者：Hervé Royer、Delphine Joseph、Damien Prim、Gilbert Kirsch∗

  DOI：10.1080/00397919808005966

  日期：1998.4

  Abstract A direct access to pentacyclic molecules via Fischer Indole Synthesis starting from tricyclic ketones is described.

  摘要描述了从三环酮开始通过 Fischer Indole 合成直接获得五环分子的方法。
• Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic device
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US11482681B2

  公开（公告）日：2022-10-25

  A compound is represented by one of formulae (11) to (13). R1 to R4 each independently represent a group represented by a formula (1-1) or the like, or a group represented by a formula (2-1), a group represented by a formula (2-2) or the like. At least one of R1 to R4 is the group represented by the formula (1-1) or the like. At least one of R1 to R4 is the group represented by the formula (2-1), (2-2) or the like. For instance, X1 represents an oxygen atom, a sulfur atom, or CR151R152, R101 to R110 and R151 and R152 each independently representing a hydrogen atom or a substituent. For instance, R161 to R168 and R171 and R180 each independently represent a hydrogen atom or a substituent. * each independently represents a bonding position to a carbon atom in a benzene ring in each of formulae (11) to (13):

  该化合物由公式（11）到（13）中的一个表示。R1到R4各自独立地表示由公式（1-1）或类似公式表示的基团，或由公式（2-1），公式（2-2）或类似公式表示的基团。其中至少一个R1到R4是由公式（1-1）或类似公式表示的基团。至少一个R1到R4是由公式（2-1），（2-2）或类似公式表示的基团。例如，X1表示氧原子，硫原子或CR151R152，R101到R110和R151和R152各自独立地表示氢原子或取代基。例如，R161到R168和R171和R180各自独立地表示氢原子或取代基。*各自独立地表示公式（11）到（13）中苯环中碳原子的键合位置。
• Buu-Hoi; Jacquignon, Journal of the Chemical Society, 1956, p. 1518
  作者：Buu-Hoi、Jacquignon

  DOI：——

  日期：——
• COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE
  申请人：IDEMITSU KOSAN CO.,LTD.

  公开号：US20210143341A1

  公开（公告）日：2021-05-13

  A compound is represented by one of formulae (11) to (13). R 1 to R 4 each independently represent a group represented by a formula (1-1) or the like, or a group represented by a formula (2-1), a group represented by a formula (2-2) or the like. At least one of R 1 to R 4 is the group represented by the formula (1-1) or the like. At least one of R 1 to R 4 is the group represented by the formula (2-1), (2-2) or the like. For instance, X 1 represents an oxygen atom, a sulfur atom, or CR 151 R 152 , R 101 to R 110 and R 151 and R 152 each independently representing a hydrogen atom or a substituent. For instance, R 161 to R 168 and R 171 and R 180 each independently represent a hydrogen atom or a substituent. * each independently represents a bonding position to a carbon atom in a benzene ring in each of formulae (11) to (13):
• ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE
  申请人：IDEMITSU KOSAN CO.,LTD.

  公开号：US20220263030A1

  公开（公告）日：2022-08-18

  An organic-EL device includes an emitting-layer, first-layer adjacent to the emitting-layer near the anode, and second-layer adjacent to the emitting-layer near the cathode. The emitting-layer contains first, second and third compounds. The first-layer contains a compound of formula-(A). The second-layer contains a compound of formula-(B). The first, second and third compounds are a fluorescent compound of formula-(1), delayed-fluorescent compound of formula-(2), and compound of formula-(3), respectively. Singlet energies S 1 of the first to third compounds satisfy S 1 (M3)>S 1 (M2)>S 1 (M1). In the formula-(A), Ra 1 -Ra 5 etc. each represent a substituent etc. In the formula-(B), X 1 -X 3 each represent N atom etc, Ar 1 and Ar 2 each represent a group of formula-(1B) etc. A represents the group of the formula-(1B). In the formula-(1B), HAr is of formula-(2B), a is 1 to 5, and L 1 is a linking group etc. In the formula-(2B), X 11 -X 18 each represent N atom etc, and Y 1 represent O, S, or N atom etc.