4-(2-carboxyphenylthio)phthalonitrile | 1034411-69-2

• 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-(2-carboxyphenylthio)phthalonitrile
• 英文别名: 4-(2-Carboxyphenylthio) phthalonitrile；2-(3,4-dicyanophenyl)sulfanylbenzoic acid
• CAS: 1034411-69-2
• 化学式: C₁₅H₈N₂O₂S
• 分子量: 280.307
• InChiKey: FGQMTZDATDRODB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-硝基邻苯二甲腈 、 硫代水杨酸 在 potassium carbonate 、 盐酸 、 水 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 6.0h， 生成 4-(2-carboxyphenylthio)phthalonitrile
  参考文献：
  名称：

  Colorant compounds

  摘要：

  揭示了一个化合物的公式，其中X1、X2、X3和X4分别独立地为—S—、—S(═O)—或—S(═O)2—，R1、R2、R3和R4分别独立地为烷基、芳基、芳基烷基或烷基芳基，R1'、R2'、R3'和R4'分别独立地为取代基，n1、n2、n3和n4分别独立地为0、1、2或3，M是能够与邻菲啰啉分子的中心腔结合的原子或原子团，其中轴向配体可以选择性地连接到M。

  公开号：

  US20080154032A1

文献信息

• Tetrasubstituted Phthalocyanines with Benzoic Acids Moieties
  作者：D. A. Kuznetsova、T. V. Tikhomirova、V. E. Maizlish、G. P. Shaposhnikov

  DOI：10.1134/s1070363219060264

  日期：2019.6

  Phthalonitriles substituted with o-hydroxybenzoic, o-aminobenzoic, and o-mercaptobenzoic acids moieties were synthesized by nucleophilic substitution of bromine in 4-bromophthalonitrile and of nitro group in 4-nitrophthalonitrile. Template condensation of these phthalonitriles with metal acetates gave the corresponding phthalocyanines. Metal-free phthalocyanines were synthesized by dissociation of the magnesium complexes of the substituted phthalocyanines in a sulfuric acid medium. Treatment of the resultant phthalocyanines with sodium ethoxide in ethanol yielded sodium salts of the carboxylic acids. The spectral properties of the compounds synthesized were examined.
• Phase change inks
  申请人：Banning Jeffrey H.

  公开号：US20080152824A1

  公开（公告）日：2008-06-26

  Disclosed is a phase change ink composition comprising a phase change ink carrier and a colorant compound of the formula wherein X 1 , X 2 , X 3 , and X 4 each, independently of the others, are —S—, —S(=O)—, or —S(=O) 2 —, R 1 , R 2 , R 3 , and R 4 each, independently of the others, are alkyl, aryl, arylalkyl, or alkylaryl, R 1 ′, R 2 ′, R 3 ′, and R 4 ′ each, independently of the others, are substituents, n 1 , n 2 , n 3 , and n 4 each, independently of the others, are 0, 1, 2, or 3, and M is an atom or group of atoms capable of bonding to the central cavity of a phthalocyanine molecule, wherein axial ligands optionally can be attached to M. Also disclosed is a radiation curable ink composition comprising (a) an ink vehicle, said ink vehicle comprising at least one radically curable monomer compound, and this colorant compound.
• US8057589B2
  申请人：——

  公开号：US8057589B2

  公开（公告）日：2011-11-15