3,6-difluoro-4,5-bisphenyl-thiophthalonitrile | 25579-67-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3,6-difluoro-4,5-bisphenyl-thiophthalonitrile
• 英文别名: 3,6-difluoro-4,5-bisphenylthiophthalonitrile；3,6-Difluor-4,5-bisphenylthiophthalonitril；3,6-difluoro-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile
• CAS: 25579-67-3
• 化学式: C₂₀H₁₀F₂N₂S₂
• 分子量: 380.442
• InChiKey: DVKWVSFMYSGZCO-UHFFFAOYSA-N

物化性质

• 沸点：
  494.7±45.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  98.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,6-difluoro-4,5-bisphenyl-thiophthalonitrile 、 四氯化钛 以80%的产率得到
  参考文献：
  名称：

  ITO, XIDEHKI;JOSITOSI, KOSI;KAJEHDA, OSAMU

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4,5,6-四氯苯-1,2-二甲腈 以 甲醇 、 二甲基亚砜 为溶剂， 生成 3,6-difluoro-4,5-bisphenyl-thiophthalonitrile
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.9, 7, page 50 - 101

  摘要：

  DOI：

文献信息

• Matric plate for electrophotographic platemaking, production thereof and
  申请人：Nippon Shokubai Co., Ltd.

  公开号：US05166025A1

  公开（公告）日：1992-11-24

  An electrophotographic plate-making quality matrix plate provided on an electroconductive substrate thereof with a photosensitive layer formed of an alkali-soluble binder resin containing an organic photoelectroconductive compound, which matric plate is characterized by the fact that said organic photoelectroconductive compound is a zinc phthalocyanine represented by the general formula I: ##STR1## wherein R is a --SZ group (where Z is a phenyl group, a phenyl group substituted with an alkyl group of 1 to 5 carbon atoms, or a naphthyl group), and said binder resin is a copolymer obtained by polymerizing a monomer mixture comprising (a) at least one compound selected from the group consisting of hydroxyalkyl acrylates and hydroxyalkyl methacrylates, (b) at least one copolymerizable unsaturated carboxylic acid, (c) at least one styrene compound, and (d) at least one compound selected from among acrylic esters other than said hydroxyalkyl acryaltes of (a).

  一种电感光制版质量矩阵版，其在导电底板上形成了一层由含有有机光电导化合物的碱溶性粘合剂树脂形成的感光层，该矩阵版的特点在于，所述有机光电导化合物是由一般式I表示的酞菁锌：##STR1## 其中R是一个--SZ基团（其中Z是苯基，被烷基取代的含1至5个碳原子的苯基，或萘基），所述粘合剂树脂是通过聚合包含（a）至少一种选择自羟基烷基丙烯酸酯和羟基烷基甲基丙烯酸酯的化合物组成的单体混合物，（b）至少一种共聚不饱和羧酸，（c）至少一种苯乙烯化合物，以及（d）在（a）之外选择自丙烯酸酯的化合物中聚合获得的共聚物。
• Phthalocyanine compounds, production method thereof, and near infrared
  申请人：Nippon Shokubai Co., Ltd.

  公开号：US05359056A1

  公开（公告）日：1994-10-25

  A novel fluorine-containing phthalocyanine compound represented by the following formula (I): ##STR1## wherein Y is ##STR2## wherein R.sub.1 and R.sub.2 are independently a hydrogen atom or a C1-C8 alkyl group; R.sub.3 and R.sub.4 are independently a C1-C8 alkyl group; X is a hydrogen atom, a C1-C4 alkyl group, a C1-C4 alkoxyl group or a halogen atom; Z is a hydrogen atom, a C1-C4 alkyl group, a C1-C4 alkoxyl group, a C1-C4 alkoxycarbonyl group or a halogen atom; W is a C1-C4 alkoxyl group; e, f, g, h and j are independently an integer of 1 or 2; n is an integer of 1 to 8; and p and q are independently an integer of 1 to 6; a to d are an integer of 0 to 2 with the proviso that the sum of a to d is 1 to 8; and M is a non-metal, a metal, a metal oxide, a metal carbonyl or a metal halide, and further, a method of producing a fluorine-containing phthalocyanine compound represented by the above formula (I).

  以下是一种新型含氟酞菁化合物，其化学式如下（I）：##STR1## 其中Y为##STR2## 其中R1和R2分别为氢原子或C1-C8烷基；R3和R4分别为C1-C8烷基；X为氢原子、C1-C4烷基、C1-C4烷氧基或卤素原子；Z为氢原子、C1-C4烷基、C1-C4烷氧基、C1-C4烷氧羰基或卤素原子；W为C1-C4烷氧基；e、f、g、h和j分别为1或2的整数；n为1至8的整数；p和q分别为1至6的整数；a到d为0至2的整数，但a到d的总和为1至8；M为非金属、金属、金属氧化物、金属羰基或金属卤化物。此外，还提供了一种制备上述化学式（I）所表示的含氟酞菁化合物的方法。
• Novel phthalocyanine compounds, production method thereof, and near infrared ray absorption materials containing the same
  申请人：NIPPON SHOKUBAI CO., LTD.

  公开号：EP0523959A2

  公开（公告）日：1993-01-20

  A novel fluorine-containing phthalocyanine compound represented by the following formula (I) : wherein Y is wherein R1 and R2 are independently a hydrogen atom or a C1 - C8 alkyl group; R3 and R4 are independently a Cl - C8 alkyl group ; X is a hydrogen atom, a C1 - C4 alkyl group, a C1 - C4 alkoxyl group or a halogen atom ; Z is a hydrogen atom, a C1 - C4 alkyl group, a C1 - C4 alkoxyl group, a C1 - C4 alkoxycarbonyl group or a halogen atom ; W is a C1 - C4 alkoxyl group ; e, f, g, h and j are independently an integer of 1 or 2 ; n is an integer of 1 to 8 ; and p and q are independently an integer of 1 to 6 ; a to d are an integer of 0 to 2 with the proviso that the sum of a to d is 1 to 8 ; and M is a non-metal, a metal, a metal oxide, a metal carbonyl or a metal halide, and further, a method of producing a fluorine-containing phthalocyanine compound represented by the above formula (I).

  下式(I)代表的新型含氟酞菁化合物： 其中 Y 是 其中 R1 和 R2 独立地为氢原子或 C1 - C8 烷基；R3 和 R4 独立地为 Cl - C8 烷基；X 为氢原子、C1 - C4 烷基、C1 - C4 烷氧基或卤素原子；Z 为氢原子、C1 - C4 烷基、C1 - C4 烷氧基、C1 - C4 烷氧羰基或卤素原子；W 为 C1 - C4 烷氧基；e、f、g、h 和 j 独立地为 1 或 2 的整数；n 为 1 至 8 的整数；p 和 q 独立地为 1 至 6 的整数；a 至 d 为 0 至 2 的整数，但 a 至 d 之和为 1 至 8；M 为非金属、金属、金属氧化物、金属羰基或金属卤化物，以及进一步，一种生产由上式(I)代表的含氟酞菁化合物的方法。
• Method for producing of phthalocyanine compound
  申请人：NIPPON SHOKUBAI CO., LTD.

  公开号：EP0882768A2

  公开（公告）日：1998-12-09

  A method for producing a novel phthalocyanine compound which excels in yield and purity, allows no introduction of a chlorine atom into the phthalocyanine skeleton, and possesses relatively bulky substituents is provided. This method is characterized by causing an orthophthalonitrile compound having a substituent exhibiting smaller σp values than σm values in the Hammett's rule to react with a metal oxide in the presence of a compound forming in the aqueous solution thereof at 25°C an acid or conjugate acid having a dissociation index pKa (the logarithmic value of the reciprocal of the dissociation constant of the acid or conjugate acid) of not more than 7.0.

  本发明提供了一种生产新型酞菁化合物的方法，该方法产量高、纯度高，不允许在酞菁骨架中引入氯原子，并具有相对笨重的取代基。 该方法的特点是，在 25°C 时，在其水溶液中形成的酸或共轭酸的化合物存在下，使具有取代基的 σp 值小于哈密特规则中的σm 值的邻苯二甲腈化合物与金属氧化物反应，该酸或共轭酸的离解指数 pKa（酸或共轭酸的离解常数倒数的对数值）不大于 7.0。
• Phthalocyanine compound, method for production thereof and use thereof
  申请人：NIPPON SHOKUBAI CO., LTD.

  公开号：EP0934985A2

  公开（公告）日：1999-08-11

  A phthalocyanine compound possessing an excellent ability to absorb near infrared ray, exhibiting excellent compatibility with resin, and excelling in such special qualities as heat resistance, light resistance, and resistance to weather conditions is provided. This phthalocyanine compound is represented by the following general formula (1) wherein Z2, Z3, Z6, Z7, Z10, Z11, Z14, and Z15 are independently SR1, OR2, or a fluorine atom, and at least one of them is for SR1 or OR2, Z1, Z4, Z5, Z8, Z9, Z12, Z13, and Z16 independently stand for NHR3, SR1, OR2, or a fluorine atom and at least one of them is NHR3, at least one of Z1 to Z16 is a fluorine atom or OR2, R1, R2, and R3 are independently a substituted or non-substituted phenyl group, a substituted or non-substituted aralkyl group, or a substituted or non-substituted alkyl group of 1 to 20 carbon atoms, and M is for a nonmetal, a metal, a metal oxide, or a metal halide.

  本发明提供了一种酞菁化合物，它具有极佳的吸收近红外线的能力，与树脂的相容性极佳，并且在耐热性、耐光性和耐候性等特殊品质方面表现出色。这种酞菁化合物由以下通式（1）表示 其中 Z2、Z3、Z6、Z7、Z10、Z11、Z14 和 Z15 独立地代表 SR1、OR2 或氟原子，且其中至少一个代表 SR1 或 OR2，Z1、Z4、Z5、Z8、Z9、Z12、Z13 和 Z16 独立地代表 NHR3、SR1、OR2 或氟原子，且其中至少一个代表 NHR3、Z1 至 Z16 中至少有一个是氟原子或 OR2，R1、R2 和 R3 独立地分别是取代或非取代的苯基、取代或非取代的芳烷基或 1 至 20 个碳原子的取代或非取代的烷基，且 M 代表非金属、金属、金属氧化物或金属卤化物。