4,4'-di(bromomethyl) benzil | 21514-58-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4,4'-di(bromomethyl) benzil
• 英文别名: 4,4'-bis(bromomethyl)benzil；α,α'-dibromotolil；4,4'-dibromomethylbenzyl；4,4'-Bis-(brommethyl)-benzil；Bis[4-(bromomethyl)phenyl]ethane-1,2-dione；1,2-bis[4-(bromomethyl)phenyl]ethane-1,2-dione
• CAS: 21514-58-9
• 化学式: C₁₆H₁₂Br₂O₂
• 分子量: 396.078
• InChiKey: RCRZSNPOVXBYBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4'-di(bromomethyl) benzil 在 镍 氢气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 methyl 2,3-bis[4-(diethylaminomethyl)phenyl]-5,9-dimethoxy-8-methylthieno[2,3-g]quinoxaline-7-carboxylate
  参考文献：
  名称：

  Synthèse de thiéno[3,2-g]quinoxalines, composés à activité antiamibienne potentielle

  摘要：

  DOI：

  10.1016/0223-5234(89)90029-9
• 作为产物：
  描述：

  4,4'-二甲基联苯甲酰 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 0.33h， 以71%的产率得到4,4'-di(bromomethyl) benzil
  参考文献：
  名称：

  Synthesis of Pyrazinoporphyrazine Derivatives Functionalised with Tetrathiafulvalene (TTF) Units: X-Ray Crystal Structures of Two Related ttf Cyclophanes and Two Bis(1,3-Dithiole-2-Thione) Intermediates

  摘要：

  AbstractThe pyrazinoporphyrazine system 13 (metal‐free, zinc and copper derivatives) has been synthesised by tetramerisation of 2,3‐dicyanopyrazine monomer unit 10. The structure of 13a‐c has been established by 1H NMR spectroscopy, UV/Vis spectrophotometry, MALDI‐TOF mass spectrometry, cyclic voltammetry and differential pulse voltammetry. The electrochemical redox behaviour of 13a‐c is strongly solvent dependent. The expected two‐stage oxidation of the tetrathiafulvalene (TTF) units of 13a‐c was observed in a range of solvents; in addition, oxidation and reduction of the pyrazinoporphyrazine core of the metal‐free derivative 13a was detected in benzonitrile. On excitation of 13 in the Q‐band region no fluorescence was observed, which is presumably the consequence of intramolecular charge transfer between the TTF moieties and the excited state of the central porphyrazine. Molecular modelling studies on 13a and 13c are reported. During the course of this work, the novel TTF macrocycles 11 and 20 were synthesised; their X‐ray crystal structures reveal severely bent TTF units, the conformations of which are discussed in detail. The X‐ray crystal structures of the bis(1,3‐dithiole) systems 15 and 18 have also been determined.

  DOI：

  10.1002/chem.19970031018

文献信息

• Use of imidazole derivatives as MDR modulators
  申请人：Taiji Biomedical, Inc.

  公开号：EP2082740A2

  公开（公告）日：2009-07-29

  The invention relates to the use of imidazole derivatives having formula (I) or their pharmaceutically acceptable salts for treating tumor cells and for increasing the sensitivity of multidrug resistant tumor cells to antitumor chemotherapeutic agents.

  本发明涉及具有式 (I) 的咪唑衍生物的用途 或其药学上可接受的盐类用于治疗肿瘤细胞和提高耐多药肿瘤细胞对抗肿瘤化疗药物的敏感性。
• Venugopalan, B.; Suresh, S.; Karnik, P. J., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1991, vol. 30, # 8, p. 777 - 783
  作者：Venugopalan, B.、Suresh, S.、Karnik, P. J.、Souza, N. J. de、Chatterjee, D. K.、Iyer, S. N.

  DOI：——

  日期：——
• Synthesis of Pyrazinoporphyrazine Derivatives Functionalised with Tetrathiafulvalene (TTF) Units: X-Ray Crystal Structures of Two Related ttf Cyclophanes and Two Bis(1,3-Dithiole-2-Thione) Intermediates
  作者：C. S. Wang、M. R. Bryce、A. S. Batsanov、J. A. K. Howard

  DOI：10.1002/chem.19970031018

  日期：1997.10

  AbstractThe pyrazinoporphyrazine system 13 (metal‐free, zinc and copper derivatives) has been synthesised by tetramerisation of 2,3‐dicyanopyrazine monomer unit 10. The structure of 13a‐c has been established by 1H NMR spectroscopy, UV/Vis spectrophotometry, MALDI‐TOF mass spectrometry, cyclic voltammetry and differential pulse voltammetry. The electrochemical redox behaviour of 13a‐c is strongly solvent dependent. The expected two‐stage oxidation of the tetrathiafulvalene (TTF) units of 13a‐c was observed in a range of solvents; in addition, oxidation and reduction of the pyrazinoporphyrazine core of the metal‐free derivative 13a was detected in benzonitrile. On excitation of 13 in the Q‐band region no fluorescence was observed, which is presumably the consequence of intramolecular charge transfer between the TTF moieties and the excited state of the central porphyrazine. Molecular modelling studies on 13a and 13c are reported. During the course of this work, the novel TTF macrocycles 11 and 20 were synthesised; their X‐ray crystal structures reveal severely bent TTF units, the conformations of which are discussed in detail. The X‐ray crystal structures of the bis(1,3‐dithiole) systems 15 and 18 have also been determined.
• Krieg,B., Chemische Berichte, 1969, vol. 102, # 1, p. 371 - 373
  作者：Krieg,B.

  DOI：——

  日期：——
• VENUGOPALAN, B.;BAPAT, C. P.;SOUZA, N. J. DE;CHATTERJEE, D. K.;IYER, N. J+, EUR. J. MED. CHEM., 24,(1989) N, C. 611-614
  作者：VENUGOPALAN, B.、BAPAT, C. P.、SOUZA, N. J. DE、CHATTERJEE, D. K.、IYER, N. J+

  DOI：——

  日期：——