4,5-Bis{[3-(dimethylamino)phenyl]sulfanyl}benzene-1,2-dicarbonitrile | 515124-02-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4,5-Bis{[3-(dimethylamino)phenyl]sulfanyl}benzene-1,2-dicarbonitrile
• 英文别名: 4,5-bis[[3-(dimethylamino)phenyl]sulfanyl]benzene-1,2-dicarbonitrile
• CAS: 515124-02-4
• 化学式: C₂₄H₂₂N₄S₂
• 分子量: 430.597
• InChiKey: OWJWXQZQJWSMTA-UHFFFAOYSA-N

物化性质

• 沸点：
  662.5±55.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,5-Bis{[3-(dimethylamino)phenyl]sulfanyl}benzene-1,2-dicarbonitrile 在 zinc diacetate 作用下， 以 various solvent(s) 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of trimethylammoniumphenylthio-substituted phthalocyanines with different pattern of substitution

  摘要：

  The base-catalyzed cyclotetramerization of 3-, 4- and 4,5-dimethylaminophenylthio phthalonitriles with zinc(II)acetate afforded 1(4),8(11),15(18),22(25)- and 2(3),9(10),16(17),23(24)-tetrasubstituted and 2,3,9,10,16,17,23,24-octasubstituted Zn(II)phthalocyanines, respectively. The statistical mixed condensation of the same phthalonitriles with 1,2-dicyanobenzene gave the corresponding mono- and disubstituted derivatives. Methylation of such products afforded a series of cationic Zn(II)phthalocyanines with different pattern of substitution, with potential use as photodynamic agents in microbial infections. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02597-2
• 作为产物：
  描述：

  聚合甲醛 、 4,5-Bis[(3-aminophenyl)sulfanyl]benzene-1,2-dicarbonitrile 在 sodium cyanoborohydride 作用下， 以 四氢呋喃 为溶剂， 生成 4,5-Bis{[3-(dimethylamino)phenyl]sulfanyl}benzene-1,2-dicarbonitrile
  参考文献：
  名称：

  Synthesis of trimethylammoniumphenylthio-substituted phthalocyanines with different pattern of substitution

  摘要：

  The base-catalyzed cyclotetramerization of 3-, 4- and 4,5-dimethylaminophenylthio phthalonitriles with zinc(II)acetate afforded 1(4),8(11),15(18),22(25)- and 2(3),9(10),16(17),23(24)-tetrasubstituted and 2,3,9,10,16,17,23,24-octasubstituted Zn(II)phthalocyanines, respectively. The statistical mixed condensation of the same phthalonitriles with 1,2-dicyanobenzene gave the corresponding mono- and disubstituted derivatives. Methylation of such products afforded a series of cationic Zn(II)phthalocyanines with different pattern of substitution, with potential use as photodynamic agents in microbial infections. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02597-2

文献信息

• USE OF PHTHALOCYANINE DERIVATES FOR THE NON-PHOTODYNAMIC TREATMENT OF DISEASES
  申请人：L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO SOCIETA' PER AZIONI

  公开号：EP1904060A1

  公开（公告）日：2008-04-02
• [EN] USE OF PHTHALOCYANINE DERIVATES FOR THE NON-PHOTODYNAMIC TREATMENT OF DISEASES<br/>[FR] UTILISATION DE DERIVES DE PHTALOCYANINE POUR LE TRAITEMENT NON PHOTODYNAMIQUE DE MALADIES
  申请人：MOLTENI & C

  公开号：WO2007000473A1

  公开（公告）日：2007-01-04

  [EN] The use of phthalocyanine derivatives for the preparation of pharmaceutical compositions useful in the non-photodynamic treatment of various microbial infections caused by viruses, bacteria or fungi, and in the diagnosis and treatment of tumours and pre-cancerous and proliferative pathologies, such as psoriasis, actinic keratosis, atheroma, endoarterial hyperplasia and prostatic hyperplasia, is described.
  [FR] L'invention concerne l'utilisation de dérivés de phtalocyanine pour la préparation de compositions pharmaceutiques utiles dans le traitement non photodynamique de diverses infections microbiennes dues à des virus, des bactéries ou des champignons, et dans le diagnostic et le traitement de tumeurs et de pathologies précancéreuses et évolutives, telles que le psoriasis, la kératose sénile, l'athérome, l'hyperplasie endo-artérielle et l'hyperplasie prostatique.