nitro-benzene; compound with aluminium chloride | 64448-33-5

• 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: nitro-benzene; compound with aluminium chloride
• 英文别名: Nitro-benzol; Verbindung mit Aluminiumchlorid；Aluminum chloride nitrobenzene；aluminum;nitrobenzene;trichloride
• CAS: 64448-33-5
• 化学式: AlCl₃*C₆H₅NO₂
• 分子量: 256.452
• InChiKey: BVRBJHOYKKIBOT-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  氢溴酸 、 nitro-benzene; compound with aluminium chloride 生成 2,4-二溴苯胺
  参考文献：
  名称：

  Intermediate Complexes in the Friedel and Crafts Reaction

  摘要：

  DOI：

  10.1021/ja01863a027
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 三氯化铝 作用下， 生成 nitro-benzene; compound with aluminium chloride
  参考文献：
  名称：

  Stockhausen; Gattermann, Chemische Berichte, vol. 25, p. 3522

  摘要：

  DOI：

文献信息

• TETRACYCLIC COMPOUND
  申请人：Kinoshita Kazutomo

  公开号：US20120083488A1

  公开（公告）日：2012-04-05

  A compound represented by the general Formula (I) below, or a salt or solvate thereof, which is useful as an ALK inhibitor, and is useful for prophylaxis or treatment of a disease accompanied by abnormality in ALK, for example, cancer, cancer metastasis, depression or cognitive function disorder: (meanings of the symbols that are included in the formula are as given in the specification).

  以下是一种由通式（I）表示的化合物，或其盐或溶剂化物，该化合物可用作ALK抑制剂，可用于预防或治疗伴有ALK异常的疾病，例如癌症，癌症转移，抑郁症或认知功能障碍：（在式中包含的符号的含义如规范中所述）。
• Tetracyclic compound
  申请人：Kinoshita Kazutomo

  公开号：US09126931B2

  公开（公告）日：2015-09-08

  A compound represented by the general Formula (I) below, or a salt or solvate thereof, which is useful as an ALK inhibitor, and is useful for prophylaxis or treatment of a disease accompanied by abnormality in ALK, for example, cancer, cancer metastasis, depression or cognitive function disorder: (meanings of the symbols that are included in the formula are as given in the specification).

  以下是一种由通式(I)表示的化合物，或其盐或溶剂化物。该化合物有助于抑制ALK，并且有助于预防或治疗伴随ALK异常的疾病，例如癌症、癌症转移、抑郁症或认知功能障碍。（符号的含义如规范中所述）。
• Tarasov, V. P.; Kirakosyan, G. A.; Randarevich, S. B., Koordinatsionnaya Khimiya, 1984, vol. 10, p. 272 - 276
  作者：Tarasov, V. P.、Kirakosyan, G. A.、Randarevich, S. B.、Buslaev, Yu. A.

  DOI：——

  日期：——
• ——
  作者：O. R. Perlovskaya、M. I. Shilina、V. V. Smirnov

  DOI：10.1023/a:1011381330763

  日期：——

  Low-temperature IR spectroscopy was used to study intermolecular interactions in the aluminium chloride-nitrobenzene system. The 1 : 1, 2 : 1, and I : 2 molecular complexes of aluminium chloride with nitrobenzene were discovered. The spectral parameters were found to correlate with the structure of the complexes and their thermal stability. Above 170 K, the 1 : 2 complexes become unstable and self-ionize to give particles with the general formula [AlCl2(RNO2)(m)]+AlCl4-. The quantum-chemical calculations carried out at the HF/6-31G level confirm the existence of three types of molecular complexes of 1 : 1, 2 : 1, and 1 : 2 composition. The structure of the title complexes was proposed on the basis of spectral parameters and calculation results.
• Stockhausen; Gattermann, Chemische Berichte, vol. 25, p. 3522
  作者：Stockhausen、Gattermann

  DOI：——

  日期：——