4-(3,5-dimethylphenoxy)phthalonitrile | 356080-26-7

• 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: 4-(3,5-dimethylphenoxy)phthalonitrile
• 英文别名: 4-[3,5-bis-(methyl)phenoxy]phthalonitrile；4-(3,5-Dimethylphenoxy)benzene-1,2-dicarbonitrile
• CAS: 356080-26-7
• 化学式: C₁₆H₁₂N₂O
• 分子量: 248.284
• InChiKey: UEIPUPNZGKOUOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  56.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3,5-dimethylphenoxy)phthalonitrile 在 过氧化苯甲酰 N-溴代丁二酰亚胺(NBS) 作用下， 以 1,1-二氯乙烷 为溶剂， 反应 1.15h， 以37%的产率得到4-[3,5-bis-(bromomethyl)phenoxy]phthalonitrile
  参考文献：
  名称：

  [EN] BORONATED METAL-PHTHALOCYANINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND USE THEREOF
  [FR] METAL-PHTHALOCYANINES DE BORE, LEUR PROCEDE DE PREPARATION, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEUR UTILISATION

  摘要：

  本发明涉及至少含有硼同位素11B或10B的金属酞菁，以共价键结合到金属酞菁核的外围位置；此外，它还涉及它们的制备过程、包含它们的药物组合物以及它们用于治疗肿瘤和异型增生病变的用途。

  公开号：

  WO2004081014A1
• 作为产物：
  描述：

  4-硝基邻苯二甲腈 、 3,5-二甲基苯酚 在 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以75%的产率得到4-(3,5-dimethylphenoxy)phthalonitrile
  参考文献：
  名称：

  Synthesis of expanded alkylphenoxythiadiazole macroheterocycles

  摘要：

  New substituted macroheterocyclic compounds of the ABABAB type were synthesised by condensation of 2,5-diamino-1, 3,4-thiadiazole with the products of interaction of 4-(4-tert-butylphenoxy)- or 4-(3,5-dimethylphenoxy)phthalonitriles with sodium alkoxides in a butanol-methanol mixture.

  DOI：

  10.1016/j.mencom.2008.09.022

文献信息

• Boronated metal-phthalocyanines, process for their preparation, pharmaceutical compositions comprising them and use thereof
  申请人：Roncucci Gabrio

  公开号：US20060135478A1

  公开（公告）日：2006-06-22

  The present invention relates to meta 1-phthalocyanines bearing at least a group containing boron isotopes 11 B or 10 B, covalently bound to the peripheral positions of meta 1-phthalocyanine nucleus; moreover it refers to the processes for their preparation, the pharmaceutical compositions comprising them and their use for the treatment of neoplastic and dysplastic pathologies.

  本发明涉及至少含有硼同位素11B或10B的基团的金属1-酞菁，共价结合在金属1-酞菁核的周边位置上；此外，它还涉及它们的制备过程，包含它们的制药组合物以及它们用于治疗肿瘤和异型增生病理的用途。
• BORONATED METAL-PHTHALOCYANINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND USE THEREOF
  申请人：L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO S.P.A

  公开号：EP1603918A1

  公开（公告）日：2005-12-14
• US7842682B2
  申请人：——

  公开号：US7842682B2

  公开（公告）日：2010-11-30
• [EN] BORONATED METAL-PHTHALOCYANINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND USE THEREOF<br/>[FR] METAL-PHTHALOCYANINES DE BORE, LEUR PROCEDE DE PREPARATION, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEUR UTILISATION
  申请人：MOLTENI & C

  公开号：WO2004081014A1

  公开（公告）日：2004-09-23

  The present invention relates to meta l-phthalocyanines bearing at least a group containing boron isotopes 11B or 10B, covalently bound to the peripheral positions of metal-phthalocyanine nucleus; moreover it refers to the processes for their preparation, the pharmaceutical compositions comprising them and their use for the treatment of neoplastic and dysplastic pathologies.

  本发明涉及至少含有硼同位素11B或10B的金属酞菁，以共价键结合到金属酞菁核的外围位置；此外，它还涉及它们的制备过程、包含它们的药物组合物以及它们用于治疗肿瘤和异型增生病变的用途。
• Synthesis of expanded alkylphenoxythiadiazole macroheterocycles
  作者：Natalia V. Bumbina、Elena A. Danilova、Vladimir S. Sharunov、Sergei I. Filimonov、Igor G. Abramov、Mikhail K. Islyaikin

  DOI：10.1016/j.mencom.2008.09.022

  日期：2008.9

  New substituted macroheterocyclic compounds of the ABABAB type were synthesised by condensation of 2,5-diamino-1, 3,4-thiadiazole with the products of interaction of 4-(4-tert-butylphenoxy)- or 4-(3,5-dimethylphenoxy)phthalonitriles with sodium alkoxides in a butanol-methanol mixture.