(E)-2-Cyano-3-(4-methoxy-phenyl)-3-phenyl-acrylic acid ethyl ester | 50737-54-7

• 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: (E)-2-Cyano-3-(4-methoxy-phenyl)-3-phenyl-acrylic acid ethyl ester
• 英文别名: ethyl (E)-2-cyano-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
• CAS: 50737-54-7
• 化学式: C₁₉H₁₇NO₃
• 分子量: 307.349
• InChiKey: DRCALCHUSYQDQL-ISLYRVAYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  59.3
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Method of Quenching Electronic Excitation of Chromophore-Containing Organic Molecules in Photoactive Compositions
  申请人：HallStar Innovations Corp.

  公开号：EP2025323A1

  公开（公告）日：2009-02-18

  The photostabilizing electronic excited state energy - particularly single state energy from a UV-absorbing molecule has been found to be readily transferred to (accepted by) α-cyanodiphenylacrylate compounds of formulas (I) and (V) having an alkoxy radical preferably in the four (para) position (hereinafter methoxy crylenes) on one or both of the phenyl rings: wherein at least one of R1 and R2 is a straight or branched chain C1-C12 alkoxy radical, preferably C1-C8, more preferably C1-C4, and most preferably methoxy, and any non-alkoxy radical R1 or R2 is hydrogen; and R3 is a straight or branched chain C1-C24 alkyl radical, preferably C12-C24, more preferably C20; wherein A and B are the same or different and are selected from the group consisting of oxygen, amino and sulfur; R1 and R3 are the same or different and are selected from the group consisting of C1-C30 alkyl, C2-C30 alkylene, C2-C30 alkyne, C3-C8 cycloalkyl, C1-C30 substituted alkylene, C2-C30 substituted alkyne, aryl, substituted aryl, heteroaryl, heterocycloalkyl, substituted heteroaryl and substituted heterocycloalkyl; R2 is selected from the group consisting of C1-C30 alkyl, C2-C30 alkylene, C2C30 alkyne, C3-C8 cycloalkyl, C1-C30 substituted alkyl, C3-C8 substituted cycloalkyl, C1-C30 substituted alkylene, C2-C30 substituted alkyne; R4, R5, R6 and R7 are the same or different and are selected from the group consisting of C1-C30 alkoxy straight chin on branched and a, b, c and d are each either 0 or 1, and a, b, c and d add up to 1, 2, 3, or 4.

  研究发现，来自紫外线吸收分子的光稳定电子激发态能量（尤其是单态能量）很容易转移到（被）α-氰基二苯丙烯酸酯化合物上，这些化合物的式子（I）和（V）在一个或两个苯基环上最好有一个位于四（对位）的烷氧基（以下简称甲氧基冰晶石）： 其中 R1 和 R2 中至少有一个是直链或支链 C1-C12 烷氧基，优选 C1-C8，更优选 C1-C4，最优选甲氧基，任何非烷氧基基 R1 或 R2 均为氢；R3 是直链或支链 C1-C24 烷基，优选 C12-C24，更优选 C20； 其中 A 和 B 相同或不同，且选自由氧、氨基和硫组成的组；R1 和 R3 相同或不同，且选自由 C1-C30 烷基、C2-C30 亚烷基、C2-C30 烷基、C3-C8 环烷基、C1-C30 取代亚烷基、C2-C30 取代烷基、芳基、取代芳基、杂芳基、杂环烷基、取代杂芳基和取代杂环烷基组成的组；R2选自由C1-C30烷基、C2-C30亚烷基、C2C30炔基、C3-C8环烷基、C1-C30取代烷基、C3-C8取代环烷基、C1-C30取代亚烷基、C2-C30取代炔基组成的组；R4、R5、R6和R7相同或不同，选自由C1-C30直链烷氧基和支链烷氧基组成的组，a、b、c和d各自为0或1，且a、b、c和d相加为1、2、3或4。
• Method of quenching electronic excitation of chromophore-containing organic molecules in photoactive compositions
  申请人：Bonda Craig A.

  公开号：US20090039323A1

  公开（公告）日：2009-02-12

  The photostabilizing electronic excited state energy—particularly singlet state energy from a UV-absorbing molecule has been found to be readily transferred to (accepted by) α-cyanodiphenylacrylate compounds of formulas (I) and (V) having an alkoxy radical preferably in the four (para) position (hereinafter methoxy crylenes) on one or both of the phenyl rings: wherein at least one of R 1 and R 2 is a straight or branched chain C 1 -C 12 alkoxy radical, preferably C 1 -C 8 , more preferably C 1 -C 4 , and most preferably methoxy, and any non-alkoxy radical R 1 or R 2 is hydrogen; and R 3 is a straight or branched chain C 1 -C 24 alkyl radical, preferably C 12 -C 24 , more preferably C 20 ; wherein A and B are the same or different and are selected from the group consisting of oxygen, amino and sulfur; R 1 and R 3 are the same or different and are selected from the group consisting of C 1 -C 30 alkyl, C 2 -C 30 alkylene, C 2 -C 30 alkyne, C 3 -C 8 cycloalkyl, C 1 -C 30 substituted alkylene, C 2 -C 30 substituted alkyne, aryl, substituted aryl, heteroaryl, heterocycloalkyl, substituted heteroaryl and substituted heterocycloalkyl; R 2 is selected from the group consisting of C 1 -C 30 alkyl, C 2 -C 30 alkylene, C 2 C 30 alkyne, C 3 -C 8 cycloalkyl, C 1 -C 30 substituted alkyl, C 3 -C 8 substituted cycloalkyl, C 1 -C 30 substituted alkylene, C 2 -C 30 substituted alkyne; R 4 , R 5 , R 6 and R 7 are the same or different and are selected from the group consisting of C 1 -C 30 alkoxy straight chin on branched and a, b, c and d are each either 0 or 1, and a, b, c and d add up to 1, 2, 3, or 4.
• METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS
  申请人：Bonda Craig A.

  公开号：US20090074687A1

  公开（公告）日：2009-03-19

  The photostabilizing electronic excited state energy—particularly singlet state energy from a UV-absorbing molecule has been found to be readily transferred to (accepted by) α-cyanodiphenylacrylate compounds of formulas (I) and (V) having an alkoxy radical preferably in the four (para) position (hereinafter methoxy crylenes) on one or both of the phenyl rings: wherein at least one of R 1 and R 2 is a straight or branched chain C 1 -C 12 alkoxy radical, preferably C 1 -C 8 , more preferably C 1 -C 4 , and most preferably methoxy, and any non-alkoxy radical R 1 or R 2 is hydrogen; and R 3 is a straight or branched chain C 1 -C 24 alkyl radical, preferably C 12 -C 24 , more preferably C 20 ; wherein A and B are the same or different and are selected from the group consisting of oxygen, amino and sulfur; R 1 and R 3 are the same or different and are selected from the group consisting of C 1 -C 30 alkyl, C 2 -C 30 alkylene, C 2 -C 30 alkyne, C 3 -C 8 cycloalkyl, C 1 -C 30 substituted alkylene, C 2 -C 30 substituted alkyne, aryl, substituted aryl, heteroaryl, heterocycloalkyl, substituted heteroaryl and substituted heterocycloalkyl; R 2 is selected from the group consisting of C 1 -C 30 alkyl, C 2 -C 30 alkylene, C 2 -C 30 alkyne, C 3 -C 8 cycloalkyl, C 1 -C 30 substituted alkyl, C 3 -C 8 substituted cycloalkyl, C 1 -C 30 substituted alkylene, C 2 -C 30 substituted alkyne; R 4 , R 5 , R 6 and R 7 are the same or different and are selected from the group consisting of C 1 -C 30 alkoxy straight chin on branched and a, b, c and d are each either 0 or 1 , and a, b, c and d add up to 1, 2, 3, or 4.
• Method of quenching electronic excitation of chromophore-containing organic molecules photoactive compositions
  申请人：Bonda Craig A.

  公开号：US20090057627A1

  公开（公告）日：2009-03-05

  A method of quenching fluorescence of a naphthalate polyester that is subjected to UV-radiation in an amount sufficient to cause the naphthalate polyester to reach an excited state and fluoresce, comprising adding to the naphthalate polyester a fluorescence quenching amount of a compound of formula (1): wherein R 1 is an alkoxy; R 2 is an organic linker; k is either zero or one; l is either zero or one, wherein the sum of k+l is one; and m is an integer in a range from zero to about twenty.
• METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHTOACTIVE COMPOSITIONS
  申请人：Bonda Craig A.

  公开号：US20090291054A1

  公开（公告）日：2009-11-26

  The photostabilizing electronic excited state energy—particularly singlet state energy from a UV-absorbing molecule has been found to be readily transferred to (accepted by) α-cyanodiphenylacrylate compounds of formulas (I) and (V) having an alkoxy radical preferably in the four (para) position (hereinafter methoxycrylenes) on one or both of the phenyl rings: wherein at least one of R 1 and R 2 is a straight or branched chain C 1 -C 12 alkoxy radical, preferably C 1 -C 8 , more preferably C 1 -C 4 , and most preferably methoxy, and any non-alkoxy radical R 1 or R 2 is hydrogen; and R 3 is a straight or branched chain C 1 -C 24 alkyl radical, preferably C 12 -C 24 , more preferably C 20 ; wherein A and B are the same or different and are selected from the group consisting of oxygen, amino and sulfur; R 1 and R 3 are the same or different and are selected from the group consisting of C 1 -C 30 alkyl, C 2 -C 30 alkylene, C 2 -C 30 alkyne, C 3 -C 8 cycloalkyl, C 1 -C 30 substituted alkylene, C 2 -C 30 substituted alkyne, aryl, substituted aryl, heteroaryl, heterocycloalkyl, substituted heteroaryl and substituted heterocycloalkyl; R 2 is selected from the group consisting of C 1 -C 30 alkyl, C 2 -C 30 alkylene, C 2 -C 30 alkyne, C 3 -C 8 cycloalkyl, C 1 -C 30 substituted alkyl, C 3 -C 8 substituted cycloalkyl, C 1 -C 30 substituted alkylene, C 2 -C 30 substituted alkyne; R 4 , R 5 , R 6 and R 7 are the same or different and are selected from the group consisting of C 1 -C 30 alkoxy straight chin on branched and a, b, c and d are each either 0 or 1, and a, b, c and d add up to 1, 2, 3, or 4.