N-phenyl-3-chloro-o-toluidine | 37984-32-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-phenyl-3-chloro-o-toluidine
• 英文别名: N-Phenyl-3-chlor-o-toluidin；3-chloro-2-methyl-N-phenylaniline
• CAS: 37984-32-0
• 化学式: C₁₃H₁₂ClN
• 分子量: 217.698
• InChiKey: URSGFDQUOBKMPW-UHFFFAOYSA-N

物化性质

• 沸点：
  325.8±30.0 °C(Predicted)
• 密度：
  1.185±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-phenyl-3-chloro-o-toluidine 在 sodium hydroxide 、 三氯化铝 、 sodium methylate 、 一水合肼 作用下， 以 乙醇 、 乙二醇甲醚 、 水 、 苯 为溶剂， 反应 23.17h， 生成 2-[(2-甲基-3-氯苯基)氨基]苯乙酸
  参考文献：
  名称：

  Synthesis and quantitative structure-activity relationships of diclofenac analogs

  摘要：

  The synthesis of a series of 2-anilinophenylacetic acids, close analogues of diclofenac, is described. These compounds were tested in two models used for evaluating the activity of nonsteroidal antiinflammatory drugs (NSAID's), inhibition of cyclooxygenase enzyme activity in vitro, and adjuvant-induced arthritis (AdA) in rats. Statistically significant correlations were found between the inhibitory activities of the compounds in these two models, indicating that cyclooxygenase inhibition seems to be the underlying mechanism for the antiinflammatory activity of these compounds. Quantitative structure-activity relationship (QSAR) analysis revealed that the crucial parameters for activity in both models were the lipophilicity and the angle of twist between the two phenyl rings. Optimal activities were associated with halogen or alkyl substituents in both ortho positions of the anilino ring. Compounds with OH groups in addition to two ortho substituents or compounds with only one or no ortho substituents were less active.

  DOI：

  10.1021/jm00171a008
• 作为产物：
  描述：

  托灭酸 在 sodium carbonate 作用下， 以 水 为溶剂， 生成 N-phenyl-3-chloro-o-toluidine
  参考文献：
  名称：

  Antiphlogistic phenylacetohydroxamic acid compositions

  摘要：

  具有以下结构式的苯乙酰羟肟酸I，其中R.sub.1、R.sub.2、R.sub.3和R.sub.4分别独立地表示氢、氯、氟或溴原子或最多具有6个碳原子的烷基或烷氧基，并且其中R.sub.2还可以表示三氟甲基，但要求R.sub.1、R.sub.2和R.sub.3不能同时表示氢原子，以及它们与碱形成的药用可接受盐，这些化合物抑制血小板聚集并表现出有价值的药理活性，特别是抗炎、镇痛和退热活性。

  公开号：

  US04092430A1

文献信息

• POLYCYCLIC AROMATIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME
  申请人：SFC Co., Ltd.

  公开号：EP3660024A1

  公开（公告）日：2020-06-03

  Disclosed are polycyclic aromatic compounds that can be employed in various organic layers of organic electroluminescent devices. Also disclosed are organic electroluminescent devices including the polycyclic aromatic compounds. The organic electroluminescent devices are highly efficient and long lasting and have greatly improved luminous efficiency.

  所公开的多环芳香族化合物可用于有机电致发光器件的各种有机层中。还公开了包括多环芳香族化合物的有机电致发光器件。这些有机电致发光器件效率高、寿命长，而且发光效率大大提高。
• ORGANIC LIGHT EMITTING DIODE INCLUDING BORON COMPOUNDS
  申请人：SFC Co., Ltd.

  公开号：EP3792989A1

  公开（公告）日：2021-03-17

  Disclosed herein is an organic light emitting diode comprising a compound represented by Chemical Formula A or B and an anthracene derivative represented by Chemical Formula H. Here, Chemical Formulas A, B, and H are as described in the specification.

  本文公开了一种有机发光二极管，它由化学式 A 或 B 所代表的化合物和化学式 H 所代表的蒽衍生物组成。
• ORGANIC LIGHT-EMITTING ELEMENT USING POLYCYCLIC AROMATIC DERIVATIVE COMPOUND
  申请人：SFC Co., Ltd.

  公开号：EP3889236A1

  公开（公告）日：2021-10-06

  An organic light-emitting element according to the present invention employs a polycyclic aromatic derivative compound in a light-emitting layer inside the element, and further comprises a capping layer. Thus, the organic light-emitting element can be made highly efficient and can be useful for a device selected from among a flat panel display device, a flexible display device, a monochrome or white flat panel lighting device, and a monochrome or white flexible lighting device.

  根据本发明，一种有机发光元件在元件内部的发光层中使用了一种多环芳烃衍生物化合物，并进一步包括一个封盖层。因此，本发明的有机发光元件具有很高的效率，可用于平板显示器件、柔性显示器件、单色或白色平板照明器件以及单色或白色柔性照明器件。
• EP3750971A1
  申请人：——

  公开号：EP3750971A1

  公开（公告）日：2020-12-16
• US4092430A
  申请人：——

  公开号：US4092430A

  公开（公告）日：1978-05-30