7,8,9,10-tetrahydrobenzoquinoline | 80028-83-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7,8,9,10-tetrahydrobenzoquinoline
• 英文别名: 5,6,7,8-tetrahydro-1-azaanthracene；7,8,9,10-tetrahydro-benzo[f]quinoline；7,8,9,10-Tetrahydro-benzo[f]chinolin；Benzo(f)quinoline, 7,8,9,10-tetrahydro-；7,8,9,10-tetrahydrobenzo[f]quinoline
• CAS: 80028-83-7
• 化学式: C₁₃H₁₃N
• mdl: MFCD18448258
• 分子量: 183.253
• InChiKey: JIJHRMOGEDRHAA-UHFFFAOYSA-N

物化性质

• 熔点：
  158 °C
• 沸点：
  183-185 °C(Press: 12 Torr)
• 密度：
  1.120±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：
  0.307
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7,8,9,10-tetrahydrobenzoquinoline 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 0.5h， 生成 (10-acetyloxy-7-bromo-7,8,9,10-tetrahydrobenzo[f]quinolin-9-yl) acetate
  参考文献：
  名称：

  Synthesis of dihydro diols and diol epoxides of benzo[f]quinoline

  摘要：

  DOI：

  10.1021/jo00368a001
• 作为产物：
  描述：

  5,6,7,8-四氢-2-萘胺 在 盐酸 作用下， 反应 2.25h， 生成 7,8,9,10-tetrahydrobenzoquinoline
  参考文献：
  名称：

  Takeuchi, Isao; Ushida, Makoto; Hamada, Yoshiki, Heterocycles, 1995, vol. 41, # 10, p. 2221 - 2232

  摘要：

  DOI：

文献信息

• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20190319198A1

  公开（公告）日：2019-10-17

  An organic light emitting device (OLED) that includes an anode, a cathode, and an organic layer disposed between the anode and the cathode. The organic layer includes a metal compound that comprises a ligand L A of Formula I, wherein the dashed lines represent coordination to a metal M. The metal M is selected from the groups consisting of Os, Ru, Ir, Rh, Pt, Pd, and Cu, and the metal is further coordinated to one or more ligand(s) L B , wherein the ligand(s) L B can be the same or different if more than one ligand L B is present. Optionally one or two of the ligand(s) L B can independently link to the ligand L A through one of R 1 to R 5 . The invention is also directed to a consumer product that includes an OLED, and the OLED includes an organic layer that includes a metal compound that comprises a ligand L A of Formula I.

  一种有机发光器件（OLED），包括阳极、阴极和位于阳极和阴极之间的有机层。有机层包括一个包含配体LA的化合物，其中虚线代表与金属M的配位。金属M选自Os、Ru、Ir、Rh、Pt、Pd和Cu组，金属进一步与一个或多个配体LB配位，如果有多个配体LB，则这些配体LB可以相同或不同。可选地，一个或两个配体LB可以独立地通过R1至R5中的一个连接到配体LA。该发明还涉及一种包括OLED的消费产品，该OLED包括一个包含配体LA的化合物的有机层。
• Indolizine derivatives related to ergoline. Derivatives of 7H-pyrrolo[3,2,1-i,j]quinoline, 7H-naphtho[1,2,3-h,i]indolizine, and 7H-pyrrolo[3,2,1-g,h]-4,7-phenanthroline
  作者：Mario Cardellini、Gian Mario Cingolani、Francesco Claudi、Gloria Cristalli、Ugo Gulini、Sante Martelli

  DOI：10.1021/jo00343a017

  日期：1982.2
• v. Braun; Gruber, Chemische Berichte, 1922, vol. 55, p. 1716
  作者：v. Braun、Gruber

  DOI：——

  日期：——
• DUBEY S. K.; KUMAR SUBODH, J. ORG. CHEM., 51,(1986) N 18, 3407-3412
  作者：DUBEY S. K.、 KUMAR SUBODH

  DOI：——

  日期：——
• Molecule-Based Equation Oriented Reactor Simulation System And Its Model Reduction
  申请人：Aspen Technology, Inc.

  公开号：US20190228843A1

  公开（公告）日：2019-07-25

  A computer-implemented method and system for modeling chemical reaction in a chemical reactor is disclosed. The method and system employ a molecule-based equation-oriented approach. Local-stored pre-estimated thermodynamic properties are generated based on a set of homologous series of compounds defined by the method and system. A set of reaction rate equations is automatically generated in equation-oriented format based on the defined set of homologous series of compounds, a system-defined set of permissible reactions, system-defined properties of the reactor compounds, and the locally-stored pre-estimated thermodynamic properties. The automatically generated set of reaction rate equations forms the model of chemical reactions in the chemical reactor.