6-[4,6-Bis(2,4-dibutoxyphenyl)-1,3,5-triazin-2(1H)-ylidene]-3-butoxycyclohexa-2,4-dien-1-one | 545443-85-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-[4,6-Bis(2,4-dibutoxyphenyl)-1,3,5-triazin-2(1H)-ylidene]-3-butoxycyclohexa-2,4-dien-1-one
• 英文别名: 2-[4,6-bis(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]-5-butoxyphenol
• CAS: 545443-85-4
• 化学式: C₄₁H₅₅N₃O₆
• 分子量: 685.9
• InChiKey: SUXVKBNIWGMNFS-UHFFFAOYSA-N

物化性质

• 沸点：
  823.8±75.0 °C(Predicted)
• 密度：
  1.086±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  50
• 可旋转键数：
  23
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• Heterocyclic Compound
  申请人：Amasaki Ichiro

  公开号：US20100004439A1

  公开（公告）日：2010-01-07

  A compound represented by the following Formula (1): wherein, Het 1 represents a bivalent five- or six-membered aromatic heterocyclic residue and may further be substituted; X a to X d each independently represent a heteroatom and may further be substituted; Y a to Y f each independently represent a heteroatom or a carbon atom and may further be substituted; the ring bound to Het 1 may have a double bond at any position

  以下是您提供的化学公式(1)的中文翻译： 其中，Het1代表一个二价的五元或六元芳香杂环基团，且可以进一步被取代；Xa至Xd每个独立地代表一个杂原子，且可以进一步被取代；Ya至Yf每个独立地代表一个杂原子或一个碳原子，且可以进一步被取代；与Het1相连的环可以在任何位置有一个双键。
• ULTRAVIOLET ABSORBER COMPOSITION
  申请人：Fujifilm Corporation

  公开号：EP2116585A1

  公开（公告）日：2009-11-11

  An ultraviolet absorbent composition, containing: at least one kind of ultraviolet absorbent A having an absorption maximum wavelength of from 350 nm to 400 nm, a half value width of 55 nm or less and a molar extinction coefficient of 20,000 or more at the absorption maximum wavelength; and at least one kind of ultraviolet absorbent B having an absorption maximum wavelength of 350 nm or less and showing 30% or more of absorbance at 320 nm of the absorbance at the absorption maximum wavelength.

  一种紫外线吸收剂组合物，含有 至少一种紫外线吸收剂 A，其最大吸收波长为 350 纳米至 400 纳米，半值宽度为 55 纳米或以下，在最大吸收波长处的摩尔消光系数为 20,000 或以上；以及 至少一种紫外线吸收剂 B，其最大吸收波长为 350 纳米或以下，在 320 纳米处的吸收率为最大吸收波长处吸收率的 30%或以上。
• POLYMER MATERIAL CONTAINING ULTRAVIOLET ABSORBENT
  申请人：Fujifilm Corporation

  公开号：EP2113536A1

  公开（公告）日：2009-11-04

  A polymer material, containing at least one kind of polymer substance selected from the group consisting of acrylic acid-based polymers, polyester-based polymers, and polycarbonate-based polymers; and a compound represented by formula (2) contained in the polymer substance: wherein A21 and A22 each independently represent an atom other than hydrogen atom and carbon atom; Y21 and Y22 each independently represent a hydrogen atom or a monovalent substituent; at least one of Y21 and Y22 represents a substituent having a Hammett substituent constant σp of 0.2 or more; Y21 and Y22 may bind to each other to form a ring; and (B) represents a group of atoms necessary for forming a five- or six-membered ring with A21, A22 and the carbon atom.

  一种聚合物材料，含有至少一种选自丙烯酸类聚合物、聚酯类聚合物和聚碳酸酯类聚合物的聚合物物质；以及聚合物物质中含有的式 (2) 所代表的化合物： 其中 A21 和 A22 各自独立地代表除氢原子和碳原子之外的原子；Y21 和 Y22 各自独立地代表氢原子或单价取代基；Y21 和 Y22 中至少有一个代表具有 0.2 或更大的哈米特取代常数 σp 的取代基；Y21 和 Y22 可相互结合形成环；以及 (B) 代表与 A21、A22 和碳原子形成五元或六元环所必需的原子团。
• ULTRAVIOLET RAY ABSORBER COMPOSITION
  申请人：Fujifilm Corporation

  公开号：EP2135911A1

  公开（公告）日：2009-12-23

  An ultraviolet absorbent composition, containing at least one of ultraviolet absorbent represented by formula (2) or (B-I), and at least one of compound represented by formula (TS-I) or (TS-II): wherein A21 and A22 represent a hetero atom; Y21 and Y22 each represent a hydrogen atom or a monovalent substituent; at least one of Y21 and Y22 represents a substituent having a Hammett substituent constant σp of 0.2 or more; and (B) represents a group of atoms necessary for forming a five- or six-membered ring with A21, A22 and the carbon atom; wherein RB1 to RB6 each independently represent a hydrogen atom or a monovalent substituent; and XB1 to XB4 each independently represent a hetero atom; wherein, in formula (TS-I), R91 represents a hydrogen atom or a specific substituent; -X91- represents -O-, -S-, or -N(-R100)-, in which R100 has the same meaning as R91; R92 to R96, which may be the same as or different from each other, each independently represent a hydrogen atom, or a substituent; and all of R91 to R96 and R100 cannot simultaneously represent a hydrogen atom, respectively, and the total number of carbon atoms is 10 or more; and wherein, in formula (TS-II), R101 to R104 each independently represent a hydrogen atom or a specific substituent; each combination of R101 and R102, and/or R103 and R104 may bind to each other to form a 5- to 7-membered ring; X101 represents a hydrogen atom or a specific substituent; and X102 represents a group of hetero atoms necessary for forming a 5- to 7-membered ring.

  一种紫外线吸收剂组合物，含有至少一种由式 (2) 或 (B-I) 代表的紫外线吸收剂，以及至少一种由式 (TS-I) 或 (TS-II) 代表的化合物： 其中 A21 和 A22 代表杂原子；Y21 和 Y22 各自代表氢原子或单价取代基；Y21 和 Y22 中至少有一个代表哈米特取代基常数 σp 为 0.2 或以上的取代基；以及 (B) 代表与 A21、A22 和碳原子形成五元或六元环所必需的原子团； 其中 RB1 至 RB6 各自独立地代表一个氢原子或一个一价取代基；以及 XB1 至 XB4 各自独立地代表一个杂原子； 其中，在式(TS-I)中，R91代表氢原子或特定取代基；-X91-代表-O-、-S-或-N(-R100)-，其中R100的含义与R91相同；R92至R96可以彼此相同或不同，各自独立地代表氢原子或取代基；且所有R91至R96和R100不能分别独立地同时代表氢原子，且碳原子的总数为10或更多；以及 其中，在式(TS-II)中，R101 至 R104 各自独立地代表一个氢原子或一个特定的取代基；R101 和 R102，和/或 R103 和 R104 的每个组合可相互结合形成一个 5 至 7 元环；X101 代表一个氢原子或一个特定的取代基；X102 代表形成 5 至 7 元环所必需的一组杂原子。
• 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。