5-[2-(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-4,8-dihydroxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-6-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 1116390-56-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-[2-(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-4,8-dihydroxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-6-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 1116390-56-7
• 化学式: C₁₆H₆N₄O₆S₆
• 分子量: 542.643
• InChiKey: LHGOJSIBNPKQSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  322
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4,6-二羟基-2-巯基嘧啶 、 以 二甲基亚砜 为溶剂， 反应 4.0h， 以50.7%的产率得到5-[2-(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-4,8-dihydroxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-6-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
  参考文献：
  名称：

  METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND

  摘要：

  一种生产由化学式（1）表示的化合物的方法，包括：允许1,4-苯醌或1,2-苯醌在极性溶剂中与由化学式（2）表示的二硫代氨基甲酸盐化合物发生反应：其中R1和R2各自独立地表示氢原子、烷基、芳基或杂环基，R1和R2可以相同也可以不同，并且可以结合在一起形成环，X表示中性化分子电荷所需的离子，m表示1至2的整数，n表示1至2的整数，M表示氢原子、金属原子或碱的共轭酸，p表示1至4的整数，q表示1至4的整数。

  公开号：

  US20090240067A1

文献信息

• HETEROCYCLIC COMPOUND, ULTRAVIOLET RAY ABSORBENT, AND COMPOSITION COMPRISING THE ULTRAVIOLET RAY ABSORBENT
  申请人：Fujifilm Corporation

  公开号：EP2177524A1

  公开（公告）日：2010-04-21

  A compound represented by formula (I-1): wherein R21, R22, R23 and R24 each independently represent a hydrogen atom or a monovalent substituent, with the proviso that compounds, in which R21, R22, R23 and R24 each are an alkylthio group, are excluded; R21 and R22 and/or R23 and R24 each may bond to each other to form a ring, with the proviso that compounds, in which the formed ring is a dithiol ring or a dithiolane ring, are excluded; R25 and R26 each independently represent a hydrogen atom or a monovalent substituent; X21, X22, X23 and X24 each independently represent a hetero atom; compounds, wherein R21, R22, R23 and R24 each represent a cyan group; X21, X22, X23 and X24 each represent a sulfur atom; and R25 and R26 each represent a hydroxyl group or a hydrogen atom, are excluded; and compounds, wherein R21 and R23 each represent a hydrogen atom; R22 and R24 each represent an arylcarbonyl group; X21, X21, X23 and X24 each represent a sulfur atom; and R25 and R26 each represent a hydroxyl group, are excluded; and an ultraviolet absorbent, which has molecular weight of 10,000 or less and molar extinction coefficient at the maximum absorption wavelength of the ultraviolet absorbent of 80,000 or more.

  式 (I-1) 所代表的化合物： 其中 R21、R22、R23 和 R24 各自独立地代表氢原子或一价取代基，但不包括 R21、R22、R23 和 R24 各自为烷硫基的化合物；R21 和 R22 和/或 R23 和 R24 可相互键合形成环，但不包括所形成的环为二硫醇环或二硫环的化合物； R25和R26各自独立地代表氢原子或单价取代基； X21、X22、X23和X24各自独立地代表杂原子； 化合物，其中 R21、R22、R23 和 R24 各自代表一个氰基；X21、X22、X23 和 X24 各自代表一个硫原子；以及 R25 和 R26 各自代表一个羟基或一个氢原子。 化合物，其中 R21 和 R23 各代表一个氢原子；R22 和 R24 各代表一个芳羰基；X21、X21、X23 和 X24 各代表一个硫原子；以及 R25 和 R26 各代表一个羟基。
• HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME
  申请人：Hanaki Naoyuki

  公开号：US20100210762A1

  公开（公告）日：2010-08-19

  A compound represented by formula (I-1): wherein R 21 , R 22 , R 23 and R 24 each independently represent a hydrogen atom or a monovalent substituent, with the proviso that compounds, in which R 21 , R 22 , R 23 and R 24 each are an alkylthio group, are excluded; R 21 and R 22 and/or R 23 and R 24 each may bond to each other to form a ring, with the proviso that compounds, in which the formed ring is a dithiol ring or a dithiolane ring, are excluded; R 25 and R 26 each independently represent a hydrogen atom or a monovalent substituent; X 21 , X 22 , X 23 and X 24 each independently represent a hetero atom; compounds, wherein R 21 , R 22 , R 23 and R 24 each represent a cyan group; X 21 , X 22 , X 23 and X 24 each represent a sulfur atom; and R 25 and R 26 each represent a hydroxyl group or a hydrogen atom, are excluded; and compounds, wherein R 21 and R 23 each represent a hydrogen atom; R 22 and R 24 each represent an arylcarbonyl group; X 21 , X 22 , X 23 and X 24 each represent a sulfur atom; and R 25 and R 26 each represent a hydroxyl group, are excluded; and an ultraviolet absorbent, which has molecular weight of 10,000 or less and molar extinction coefficient at the maximum absorption wavelength of the ultraviolet absorbent of 80,000 or more.
• US8039532B2
  申请人：——

  公开号：US8039532B2

  公开（公告）日：2011-10-18
• METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND
  申请人：Motoki Masuji

  公开号：US20090240067A1

  公开（公告）日：2009-09-24

  A method of producing a compound represented by formula (1), including: allowing 1,4-benzoquinone or 1,2-benzoquinone to react with a dithiocarbamate compound represented by formula (2) in a polar solvent: wherein R 1 and R 2 each independently represent a hydrogen atom, an alkyl group, an aryl group or a heterocyclic group, R 1 and R 2 may be the same or different and may be combined with each other to form a ring, X represents an ion necessary to neutralize the charge of the molecule, m represents an integer of 1 to 2, n represents an integer of 1 to 2, M represents a hydrogen atom, a metal atom or a conjugate acid of a base, p represents an integer of 1 to 4, and q represents an integer of 1 to 4.

  一种生产由化学式（1）表示的化合物的方法，包括：允许1,4-苯醌或1,2-苯醌在极性溶剂中与由化学式（2）表示的二硫代氨基甲酸盐化合物发生反应：其中R1和R2各自独立地表示氢原子、烷基、芳基或杂环基，R1和R2可以相同也可以不同，并且可以结合在一起形成环，X表示中性化分子电荷所需的离子，m表示1至2的整数，n表示1至2的整数，M表示氢原子、金属原子或碱的共轭酸，p表示1至4的整数，q表示1至4的整数。