4-[4-(hydroxymethyl)phenoxy]-5-(phenylsulfanyl)phthalonitrile | 649553-06-0

• 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-[4-(hydroxymethyl)phenoxy]-5-(phenylsulfanyl)phthalonitrile
• 英文别名: 4-[4-(Hydroxymethyl)phenoxy]-5-(phenylsulfanyl)benzene-1,2-dicarbonitrile；4-[4-(hydroxymethyl)phenoxy]-5-phenylsulfanylbenzene-1,2-dicarbonitrile
• CAS: 649553-06-0
• 化学式: C₂₁H₁₄N₂O₂S
• 分子量: 358.42
• InChiKey: OVYSRHFRRKNGPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4,5-二氯邻苯二甲腈 在 potassium carbonate 、 三乙胺 作用下， 以 丙酮 为溶剂， 反应 48.0h， 生成 4-[4-(hydroxymethyl)phenoxy]-5-(phenylsulfanyl)phthalonitrile
  参考文献：
  名称：

  Synthesis and antimycotic activity of new unsymmetrical substituted zinc phthalocyanines

  摘要：

  The synthesis of new unsymmetrical substituted zinc phthalocyanines derivatives has been described; moreover the photodynamic activity of some compounds tested against Candida albicans has been reported. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.10.031

文献信息

• Synthesis and antimycotic activity of new unsymmetrical substituted zinc phthalocyanines
  作者：Barbara Cosimelli、Gabrio Roncucci、Donata Dei、Lia Fantetti、Fiammetta Ferroni、Micaela Ricci、Domenico Spinelli

  DOI：10.1016/j.tet.2003.10.031

  日期：2003.12

  The synthesis of new unsymmetrical substituted zinc phthalocyanines derivatives has been described; moreover the photodynamic activity of some compounds tested against Candida albicans has been reported. (C) 2003 Elsevier Ltd. All rights reserved.