N-(-2-nitro-4-bromophenyl)-N-methylbenzamide | 760212-71-3

• 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-(-2-nitro-4-bromophenyl)-N-methylbenzamide
• 英文别名: 4'-bromo-N-methyl-2'-nitro-benzanilide；4'-bromo-N-methyl-2'-nitrobenzanilide；N-(4-bromo-2-nitrophenyl)-N-methylbenzamide
• CAS: 760212-71-3
• 化学式: C₁₄H₁₁BrN₂O₃
• 分子量: 335.157
• InChiKey: JTZWOVTYKFJSBI-UHFFFAOYSA-N

物化性质

• 沸点：
  460.3±45.0 °C(Predicted)
• 密度：
  1.559±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(-2-nitro-4-bromophenyl)-N-methylbenzamide 在 对甲苯磺酸 sodium dithionite 、 水 作用下， 以 四氢呋喃 、 甲醇 、 xylene 为溶剂， 反应 11.0h， 生成 5-溴-1-甲基-2-苯基-1H-苯并咪唑
  参考文献：
  名称：

  NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME

  摘要：

  公开号：

  EP2524913B1
• 作为产物：
  描述：

  N-甲基-2-硝基苯胺 在 吡啶 、 溴 、 溶剂黄146 作用下， 反应 11.0h， 生成 N-(-2-nitro-4-bromophenyl)-N-methylbenzamide
  参考文献：
  名称：

  苯并咪唑衍生物及其制备方法

  摘要：

  本发明公开了一种苯并咪唑衍生物及其制备方法，所述苯并咪唑衍生物为1‑甲基‑2‑苯基‑5‑溴‑1H‑苯并咪唑，其是制备抗癌药物和有机电场致发光器件的中间体。本发明的合成1‑甲基‑2‑苯基‑5‑溴‑1H‑苯并咪唑的方法所用的原料和试剂廉价易得，合成方法简单可行，反应条件温和，产率较高，为合成1‑甲基‑2‑苯基‑5‑溴‑1H‑苯并咪唑化合物开辟一条简便的合成路径。

  公开号：

  CN105399683B

文献信息

• Nitrogenous Heterocycle Derivative, And Organic Electroluminescent Element Employing The Same
  申请人：Kawamura Masahiro

  公开号：US20070200490A1

  公开（公告）日：2007-08-30

  Provided is a material for an organic EL device realizing an organic EL device capable of having a high current efficiency even at a low voltage. Provided is a derivative of heterocyclic compound having a nitrogen atom represented by the following general formula (A-1) or (A-2). In the formulae, R 1a to R 5a each represent a substituent, Ar 1a to Ar 3a each represent a single bond or a divalent connecting group, and HAr represents a group represented by a general formula (A-3) or (A-4). R 6a to R 10a each represent a substituent.

  提供了一种用于实现有机EL器件的材料，该有机EL器件能够在低电压下具有高电流效率。提供了一种具有以下一般式（A-1）或（A-2）所表示的含氮杂环化合物的衍生物。在公式中，R1到R5分别表示取代基，Ar1到Ar3分别表示单键或二价连接基团，HAr表示由一般式（A-3）或（A-4）所表示的基团。R6到R10分别表示取代基。
• ORGANIC ELECTROLUMINESCENCE DEVICE
  申请人：Kawamura Yuichiro

  公开号：US20120153268A1

  公开（公告）日：2012-06-21

  An organic electroluminescence device includes an anode, an emitting layer, an electron-transporting region, and a cathode, the anode, the emitting layer, the electron-transporting region, and the cathode being stacked in this order, the emitting layer including a host material, and a dopant material that emits fluorescence having a main peak wavelength of 550 nm or less, the electron-transporting region including a barrier layer that is adjacent to the emitting layer, and the barrier layer including a barrier material that includes an electron-transporting structural part, and a triplet barrier structural part that includes a fused polycyclic aromatic hydrocarbon compound, and satisfies the relationship “E T b >E T h ” (where, E T h is the triplet energy of the host material, and E T b is the triplet energy of the barrier material).

  一种有机电致发光器件包括阳极、发光层、电子传输区和阴极，阳极、发光层、电子传输区和阴极依次堆叠，发光层包括主体材料和发射荧光的掺杂材料，其主峰波长为550nm或更低，电子传输区包括邻近发光层的阻挡层，该阻挡层包括具有电子传输结构部分和包括融合的多环芳香族碳化合物的三重态阻挡结构部分的阻挡材料，并满足“ETb>ETh”的关系（其中，ETh是主体材料的三重态能量，而ETb是阻挡材料的三重态能量）。
• Nitrogen containing heterocycle derivative and organic electroluminescent element using the same
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：US08097349B2

  公开（公告）日：2012-01-17

  A novel derivative of heterocyclic compound having nitrogen atom with a structure made by bonding special groups to benzimidazole, a material for an organic electroluminescence (EL) device comprising the derivative of heterocyclic compound having nitrogen atom and an organic electroluminescence device comprising at least one organic compound layer containing a light emitting layer sandwiched between a pair of electrodes, wherein the device contains the derivative of heterocyclic compound having nitrogen atom. An organic EL device achieving elevation of luminance and of efficiency in light emission even under low driving voltage is obtainable by an employment of the derivative of heterocyclic compound having nitrogen atom for at least one layer composing organic compound layers of the EL device.

  一种新型的杂环化合物衍生物，其氮原子与苯并咪唑结构上的特殊基团相连，用作有机电致发光（EL）器件的材料。该有机EL器件包括至少一个有机化合物层，其中夹在一对电极之间的是一个发光层，其中该器件包含具有氮原子的杂环化合物衍生物。通过在EL器件的有机化合物层中至少使用具有氮原子的杂环化合物衍生物，可以实现在低驱动电压下提高亮度和光发射效率的有机EL器件。
• NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME
  申请人：Kawamura Masahiro

  公开号：US20120132899A1

  公开（公告）日：2012-05-31

  A nitrogen-containing heterocyclic derivative represented by the following formula (1): wherein any “12-a” groups of R 1 to R 12 are independently a hydrogen atom, a fluorine atom, a substituted or unsubstituted aryl group having 6 to 30 ring carbon atoms or a substituted or unsubstituted heterocyclic group having 5 to 30 ring atoms; any “a” groups of R 1 to R 12 are independently a single bond which is bonded to L 1 ; L 1 is a single bond, a “b+1” valent substituted or unsubstituted hydrocarbon ring group having 6 to 30 ring carbon atoms or a “b+1” valent substituted or unsubstituted heterocyclic group having 5 to 30 ring atoms; HAr is a substituted or unsubstituted nitrogen-containing heterocyclic group; and “a” and “b” are independently an integer of 1 to 4, and at least one of “a” and “b” is 1. Also disclosed is a nitrogen-containing heterocyclic derivative represented by the following formula (21) or (31):

  一种含氮杂环衍生物，由以下公式（1）表示：其中R1至R12中的任何“12-a”基团独立地是氢原子、氟原子、具有6至30个环碳原子的取代或未取代芳基基团或具有5至30个环原子的取代或未取代杂环基团；R1至R12中的任何“a”基团独立地是与L1相结合的单键；L1是单键、具有6至30个环碳原子的“b+1”价取代或未取代的碳氢环基团或具有5至30个环原子的“b+1”价取代或未取代的杂环基团；HAr是取代或未取代的含氮杂环基团；“a”和“b”分别是1至4的整数，且至少有一个“a”和“b”为1。还公开了一种由以下公式（21）或（31）表示的含氮杂环衍生物：
• Nitrogenous heterocycle derivative, and organic electroluminescent element employing the same
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：US07833632B2

  公开（公告）日：2010-11-16

  Provided is a material for an organic EL device realizing an organic EL device capable of having a high current efficiency even at a low voltage. Provided is a derivative of heterocyclic compound having a nitrogen atom represented by the following general formula (A-1) or (A-2). In the formulae, R1a to R5a each represent a substituent, Ar1a to Ar3a each represent a single bond or a divalent connecting group, and HAr represents a group represented by a general formula (A-3) or (A-4). R6a to R10a each represent a substituent.

  提供了一种用于实现有机EL器件的材料，该有机EL器件在低电压下仍能具有高电流效率。提供了一种杂环化合物的衍生物，该杂环化合物具有由以下通式（A-1）或（A-2）表示的含氮原子。在公式中，R1a到R5a分别表示取代基，Ar1a到Ar3a分别表示单键或双价连接基团，而HAr表示由通式（A-3）或（A-4）表示的基团。R6a到R10a分别表示取代基。