噌啉-4-硫醇 | 875-67-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 噌啉-4-硫醇
• 英文名称: 4-Mercapto-cinnolin
• 英文别名: 1H-cinnoline-4-thione
• CAS: 875-67-2
• 化学式: C₈H₆N₂S
• mdl: MFCD07366461
• 分子量: 162.215
• InChiKey: AAFXYAXUEFJBJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  噌啉-4-硫醇 、 二甲胺 生成 4-Methylaminocinnoline
  参考文献：
  名称：

  NOYCE, S. J.;RANDLES, K. R.;STORR, R. C., TETRAHEDRON LETT., 1985, 26, N 7, 941-944

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯噌啉 在 硫脲 作用下， 以 甲醇 为溶剂， 以78%的产率得到噌啉-4-硫醇
  参考文献：
  名称：

  On the Tautomerism of Cinnolin-4-ol, Cinnolin-4-thiol, and Cinnolin-4-amine

  摘要：

  Detailed NMR spectroscopic investigations ((1)H, (13)C, (15)N) with cinnolin-4-ol (1) reveal this compound to exist exclusively in the 77 cinnolin-4(1H)-one form in deuteriodimethyl sulfoxide solution. This finding is confirmed by comparison of the NMR spectroscopic data of 1 with those of the corresponding 'fixed' O-methyl and N-methyl derivatives, i.e. 4-methoxycinnoline (3) and 1-methylcinnolin-4(1H)-one (5). Similarly, cinnoline-4-thiol (4) is present in the thione form in deuteriodimethyl sulfoxide, whereas cinnolin-4-amine (7) exists in the amino form. In addition, in-depth analyses of the NMR spectra of some simple 4-substituted cinnolines are provided.

  DOI：

  10.3987/com-07-11177

文献信息

• DIAMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME
  申请人：Samsung Display Co., Ltd.

  公开号：EP3561894A1

  公开（公告）日：2019-10-30

  Provided are a diamine compound including a naphthyl-phenyl linker and a 2-carbazolyl group and an organic light-emitting device including the same. The organic light-emitting device includes: a first electrode; a second electrode; and an organic layer between the first electrode and the second electrode and including an emission layer, wherein the organic layer includes the diamine compound including the naphthyl-phenyl linker and the 2-carbazolyl group.

  本发明提供了一种包括萘基-苯基连接体和 2-咔唑基团的二胺化合物，以及一种包括该二胺化合物的有机发光器件。有机发光器件包括：第一电极；第二电极；以及位于第一电极和第二电极之间并包括发射层的有机层，其中有机层包括二胺化合物，该二胺化合物包括萘基-苯基连接体和 2-咔唑基团。
• ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME
  申请人：Samsung Display Co., Ltd.

  公开号：EP3431482B1

  公开（公告）日：2020-09-02
• CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THIN FILM FORMED FROM THE COMPOSITION
  申请人：Samsung Display Co., Ltd.

  公开号：EP3663283B1

  公开（公告）日：2021-11-03
• On the Tautomerism of Cinnolin-4-ol, Cinnolin-4-thiol, and Cinnolin-4-amine
  作者：Wolfgang Holzer、Gernot A. Eller、Simeon Sch嗜berger

  DOI：10.3987/com-07-11177

  日期：——

  Detailed NMR spectroscopic investigations ((1)H, (13)C, (15)N) with cinnolin-4-ol (1) reveal this compound to exist exclusively in the 77 cinnolin-4(1H)-one form in deuteriodimethyl sulfoxide solution. This finding is confirmed by comparison of the NMR spectroscopic data of 1 with those of the corresponding 'fixed' O-methyl and N-methyl derivatives, i.e. 4-methoxycinnoline (3) and 1-methylcinnolin-4(1H)-one (5). Similarly, cinnoline-4-thiol (4) is present in the thione form in deuteriodimethyl sulfoxide, whereas cinnolin-4-amine (7) exists in the amino form. In addition, in-depth analyses of the NMR spectra of some simple 4-substituted cinnolines are provided.
• NOYCE, S. J.;RANDLES, K. R.;STORR, R. C., TETRAHEDRON LETT., 1985, 26, N 7, 941-944
  作者：NOYCE, S. J.、RANDLES, K. R.、STORR, R. C.

  DOI：——

  日期：——