N-乙基-N-甲基-1,2-苯二胺 | 28458-64-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-乙基-N-甲基-1,2-苯二胺
• 中文别名: 环氧乙烷腈，3-(2-吡啶基)-，顺式(9CI)
• 英文名称: N1-ethyl-N1-methylbenzene-1,2-diamine
• 英文别名: N-Aethyl-N-methyl-o-phenylendiamin；2-N-ethyl-2-N-methylbenzene-1,2-diamine
• CAS: 28458-64-2
• 化学式: C₉H₁₄N₂
• mdl: MFCD11622759
• 分子量: 150.224
• InChiKey: KWMGUQRDALNQKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-乙基-N-甲基-1,2-苯二胺 、 2-苯基丁酸 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(2-(ethyl(methyl)amino)phenyl)-2-phenylbutanamide
  参考文献：
  名称：

  Discovery of a Series of 2-Phenyl-N-(2-(pyrrolidin-1-yl)phenyl)acetamides as Novel Molecular Switches that Modulate Modes of K_v7.2 (KCNQ2) Channel Pharmacology: Identification of (S)-2-Phenyl-N-(2-(pyrrolidin-1-yl)phenyl)butanamide (ML252) as a Potent, Brain Penetrant K_v7.2 Channel Inhibitor

  摘要：

  A potent and selective inhibitor of KCNQ2, (S)-5 (ML252, IC50 = 69 nM), was discovered after a high-throughput screen of the MLPCN library was performed. SAR studies revealed a small structural change (ethyl group to hydrogen) caused a functional shift from antagonist to agonist activity (37, EC50 = 170 nM), suggesting an interaction at a critical site for controlling gating of KCNQ2 channels.

  DOI：

  10.1021/jm300700v

文献信息

• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：The University of Southern California

  公开号：US20200243772A1

  公开（公告）日：2020-07-30

  A compound of Formula X wherein ring A is absent, or present and selected from a 5-membered or 6-membered, carbocyclic or heterocyclic ring, which is optionally substituted; ring B is absent, or present and selected from a 5-membered or 6-membered, carbocyclic or heterocyclic ring, which is optionally substituted; and at least one of ring A or ring B is present, and the hash line represents ring A fused to ring N—W 1 —W 2 and ring B fused to ring N—W 3 —W 4 ; W 1 , W 2 , W 3 , W 4 , W 5 , and W 6 are independently selected from CR 1 or N; Z is selected from CR Z or N; and Y is selected from a group consisting of C(R 2 ) 2 , B(R 2 ) 2 , Al(R 2 ) 2 , Si(R 2 ) 2 , and Ge(R 2 ) 2 . An optoelectronic device selected from the group consisting of a photovoltaic device, a photodetector device, a photosensitive device, and an OLED, the optoelectronic device including an organic layer that comprises a compound of Formula X. A consumer product that includes the optoelectronic device.

  化合物X的公式，其中环A不存在，或存在并且选择自5成员或6成员的碳环或杂环，可选地取代；环B不存在，或存在并且选择自5成员或6成员的碳环或杂环，可选地取代；环A或环B中至少一个存在，虚线表示环A与环N—W1—W2融合，环B与环N—W3—W4融合；W1、W2、W3、W4、W5和W6独立选择自CR1或N；Z选择自CRZ或N；Y选择自C（R2）2、B（R2）2、Al（R2）2、Si（R2）2和Ge（R2）2。选择自光伏器件、光电探测器器件、光敏器件和OLED的光电子器件，该光电子器件包括包含化合物X的有机层。包括该光电子器件的消费品。
• PHOSPHINE OXIDE GROUP-CONTAINED TRANSITION METAL COMPLEX, AND POLYMER, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE THEREOF
  申请人：GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD.

  公开号：US20220064197A1

  公开（公告）日：2022-03-03

  A phosphine oxide group-contained transition metal complex represented by chemical formula (1), and a polymer, a mixture, a composition, and an organic electronic device.

  一种含有膦氧基团的过渡金属配合物，化学式表示为（1），以及一种聚合物、混合物、组合物和有机电子器件。
• TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS
  申请人：Tao Chunlin

  公开号：US20120172361A1

  公开（公告）日：2012-07-05

  Compounds of the formula (I) and formula (II) and pharmaceutically acceptable salts thereof.

  公式（I）和公式（II）的化合物及其药学上可接受的盐。
• Organic Electroluminescent Materials and Devices
  申请人：Universal Display Corporation

  公开号：US20200274076A1

  公开（公告）日：2020-08-27

  A compound of Formula I: wherein each R 1 , R 2 , R 3 , and R 4 is independently hydrogen or a substituent selected from the group consisting of deuterium, halide, alkyl, cycloalkyl, heteroalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, carbonyl, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, boryl, and combinations thereof; and wherein any two adjacent substituents are optionally joined or fused together to form a ring

  式I的化合物：其中每个R1、R2、R3和R4独立地为氢或从氘、卤素、烷基、环烷基、杂基烷基、芳基烷基、烷氧基、芳氧基、氨基、硅基、烯基、环烯基、杂基烯基、炔基、芳基、杂芳基、羰基、腈、异腈、烷硫基、亚砜基、砜基、膦基、硼基和它们的组合物中选择的取代基；且任意相邻的两个取代基可以选择连接或融合在一起形成环。
• Materials for organic light emitting diode
  申请人：Universal Display Corporation

  公开号：US10008677B2

  公开（公告）日：2018-06-26

  Compounds are provided that comprise a ligand having a 5-substituted 2-phenylquinoline. In particular, the 2-phenylquinoline may be substituted with a cycloalkyl containing group at the 5-position. These compounds may be used in organic light emitting devices, in particular as red emitters in the emissive layer of such devices, to provide devices having improved properties.

  本发明提供的化合物包含一种具有 5-取代 2-苯基喹啉的配体。特别是，2-苯基喹啉可在 5 位被含环烷基的基团取代。这些化合物可用于有机发光器件中，特别是用作此类器件发射层中的红色发射器，以提供性能更好的器件。