N-(4-(3,4-dicyanophenoxy)phenyl)acetamide | 650595-13-4

• 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: N-(4-(3,4-dicyanophenoxy)phenyl)acetamide
• 英文别名: N-[4-(3,4-dicyanophenoxy)phenyl]acetamide
• CAS: 650595-13-4
• 化学式: C₁₆H₁₁N₃O₂
• 分子量: 277.282
• InChiKey: QKRYAWKEUJDMSH-UHFFFAOYSA-N

物化性质

• 熔点：
  236 °C(Solv: ethanol (64-17-5))
• 沸点：
  547.0±50.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  85.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(4-(3,4-dicyanophenoxy)phenyl)acetamide 在 nickel dichloride 作用下， 反应 0.08h， 以14.5%的产率得到tetrakis[(phenoxyacetamide)phthalocyaninato]nickel
  参考文献：
  名称：

  Synthesis and characterization of new metallophthalocyanines with four phenoxyacetamide units

  摘要：

  N-(4-(3,4-dicyanophenoxy)phenyl)acetamide was obtained through the displacement reaction of 4-nitrophthalonitrile with 4-acetamidophenol. The zinc(II) Phthalocyanine(4) was prepared by the reaction of the N-(4-(3,4-dicyanophenoxy)phenyl)acetamide with ZnCl2 in dimethyl formamide (DMF). Magnesium (II) and nickel (II) phthalocyanines (5, 6) were prepared by the reaction of the N-(4-(3,4-dicyanophenoxy)phenyl)acetamide with MgCl2, NiCl2 salts without solvents at 300 degrees C. This newness on the periphery increased solubility compared to the unsubstituted phthalocyanines. These metallophthalocyanines are soluble in DMF, dimethyl sulfoxide (DMSO), tetrahydrofuran (THF), DMF/water (1/1). The structures of target compounds were confirmed by elemental analyses, IR, H-1 NMR, UV-vis spectra. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.03.011
• 作为产物：
  描述：

  对氨基苯酚 在 potassium carbonate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 生成 N-(4-(3,4-dicyanophenoxy)phenyl)acetamide
  参考文献：
  名称：

  一种多氟多氨基修饰的锌酞菁光敏剂的合成方法及其应用

  摘要：

  本发明公开了一种多氟多氨基修饰的锌酞菁光敏剂的合成方法及其应用；本发明所合成的锌酞菁结构较为新颖，由单取代苯胺基锌酞菁、全氟癸二酸和精胺三部分通过偶联反应得到的，原料来源广泛，合成方法简单，容易得到。本发明所合成的锌酞菁结构安全性高，光敏活性强，能够作为新型光敏剂在光动力疗法抗肿瘤治疗领域应用。

  公开号：

  CN116082348A

文献信息

• Colorant compounds
  申请人：Banning Jeffrey H.

  公开号：US20080146794A1

  公开（公告）日：2008-06-19

  Disclosed is a compound of the formula wherein M is atom or group of atoms capable of bonding to central cavity of phthalocyanine molecule, wherein axial ligands optionally can be attached to M, each R′ is a substituent, each n is 0, 1, 2, 3, or 4, each R″ is a substituent, each m is 0, 1, 2, or 3, each R is alkylene, arylene, arylalkylene, or alkylarylene, each X is —OH, —COOH, or wherein each Y and each Z is a direct bond, oxygen, or —NR 1 —, wherein R 1 is hydrogen, alkyl, aryl, arylalkyl, or alkylaryl, provided that Z and Y are not both direct bonds connected to a single C═O moiety at the same time, provided that when X is —COOH, R can also be a direct bond, and each R d is alkyl, aryl, arylalkyl, or alkylaryl.

  揭示了一个化合物的结构式，其中 M 是一个原子或原子团，能够与酞菁分子的中央空腔形成键合，其中轴向配体可以选择性地附着在 M 上，每个 R′ 是一个取代基，每个 n 是 0、1、2、3 或 4，每个 R″ 是一个取代基，每个 m 是 0、1、2 或 3，每个 R 是烷基、芳基、芳基烷基或烷基芳基，每个 X 是—OH、—COOH 或，其中每个 Y 和每个 Z 是直接键、氧或—NR1—，其中 R1 是氢、烷基、芳基、芳基烷基或烷基芳基，前提是 Z 和 Y 不同时是连接到单个 C═O 基团的直接键，前提是当 X 是—COOH 时，R 也可以是一个直接键，每个 Rd 是烷基、芳基、芳基烷基或烷基芳基。
• TW2016/9989
  申请人：——

  公开号：——

  公开（公告）日：——
• Phase change inks
  申请人：Banning Jeffrey H.

  公开号：US20080145559A1

  公开（公告）日：2008-06-19

  Phase change ink comprising carrier and colorant of formula wherein M is atom or group of atoms capable of bonding to central cavity of phthalocyanine molecule, wherein axial ligands optionally can be attached to M, each R′ is a substituent, each n is 0, 1, 2, 3, or 4, each R″ is a substituent, each m is 0, 1, 2, or 3, each R is alkylene, arylene, arylalkylene, or alkylarylene, each X is —OH, —COOH, or wherein each Y and each Z is a direct bond, oxygen, or —NR 1 —, wherein R 1 is hydrogen, alkyl, aryl, arylalkyl, or alkylaryl, provided that Z and Y are not both direct bonds connected to a single C═O moiety at the same time, provided that when X is —COOH, R can also be a direct bond, and each R d is alkyl, aryl, arylalkyl, or alkylaryl.
• PHTHALOCYANINE COMPOUND USED FOR COLOR FILTER OF LCD
  申请人：Dow Global Technologies LLC

  公开号：US20170233576A1

  公开（公告）日：2017-08-17

  A phthalocyanine compound which is suitable for forming a color filter used for a liquid crystal display device, a method for synthesis the phthalocyanine compound, a composition containing a resin and the phthalocyanine compound, an article having a polymer layer formed from the composition and a color filter formed from the composition are developed.
• US7645875B2
  申请人：——

  公开号：US7645875B2

  公开（公告）日：2010-01-12