3-[3,5-双(1-甲基乙基)苯基]丙烯酸乙酯 | 94201-33-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: 3-[3,5-双(1-甲基乙基)苯基]丙烯酸乙酯
• 中文别名: 乙基3-[3,5-二(1-甲基乙基)苯基]丙烯酰酸酯
• 英文名称: (E)-ethyl 3-(3,5-diisopropylphenyl)acrylate
• 英文别名: Ethyl 3-(3,5-bis(1-methylethyl)phenyl)acrylate；ethyl (E)-3-[3,5-di(propan-2-yl)phenyl]prop-2-enoate
• CAS: 94201-33-9；2179319-51-6
• 化学式: C₁₇H₂₄O₂
• 分子量: 260.376
• InChiKey: CCDVTESUSACXIP-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3-二异丙基苯 、 丙烯酸乙酯 在 dimethyl 2-((6-methylpyridin-3-yl)methylene)malonate 、 silver(I) acetate 、 palladium diacetate 、 N-乙酰甘氨酸 作用下， 反应 24.0h， 以76%的产率得到3-[3,5-双(1-甲基乙基)苯基]丙烯酸乙酯
  参考文献：
  名称：

  芳烃的双配体使能非定向CH卤化

  摘要：

  传统上，Pd催化芳烃的氧化CH H烯化反应（也称为Fujiwara-Moritani反应）的应用受到在基团上引导基团的要求或大量使用芳烃的需求的限制，通常是（共）溶剂。本文描述了一种催化系统的开发，该催化系统通过两个互补配体的共同作用，使得首次将无直接基团的芳烃用作限制试剂成为可能。反应在空间控制和电子控制的结合下进行，并且能够将这种强大的反应应用于有价值的芳烃，而这些芳烃不能过量利用。

  DOI：

  10.1002/anie.201712235

文献信息

• VITAMIN D PROMOTING SUNSCREEN
  申请人：Armstrong, Ernest T.

  公开号：EP2384193A2

  公开（公告）日：2011-11-09
• DIMERIC BENZYLIDENE MALONATES
  申请人：Hansch Markus

  公开号：US20110038815A1

  公开（公告）日：2011-02-17

  Disclosed is the use of benzylidene malonates of formula (1), wherein R 1 and R 2 , independently from each other are hydrogen; OH; C 1 -C 12 alkyl; C 1 -C 12 alkoxy; C 1 -C 12 alkylamino; C 1 -C 12 dialkylamino; water-solubilizing groups, selected from carboxylate, sulfonates or ammonium radicals; R 3 is COOR 5 ; COR 5 ; CONR 5 R 6 ; CN; or SO 2 R 7 , R 4 is COOR 8 ; COR 9 ; CONR 8 R 9 ; CN; or SO 2 R 10 ; R 5 , R 6 , R 7 , R 8 , R 9 and R 10 independently from each other are C 1 -C 18 alkyl; unsubstituted or by one or more than one C 1 -C 4 alkyl substituted C 3 -C 12 -cycloalkyl; unsubstituted or C 1 -C 6 alkyl-substituted C 6 -C 20 aryl; organosilanyl, or organosiloxanyl; A is —C 1 -C 20 alkylene-, —CH 2 CH(OH)CH 2 —, —C 5 -C 20 cycloalkylene, —C 2 -C 20 alkenylene-, —C 5 -C 10 arylene-, or —C 5 -C 10 arylene-(C 1 -C 10 alkylene)- which are unsubstituted or substituted, straight-chain or branched, optionally interrupted by one or more than one heteroatoms selected from —O, —S— or —NH—; for the protection of human and animal hair and skin against UV radiation.
• BENZYLIDENE COMPOUNDS COMPRISING PHOSPHONO-GROUPS
  申请人：Wagner Barbara

  公开号：US20110212039A1

  公开（公告）日：2011-09-01

  Disclosed is the use of the compounds of formula (1) wherein R 1 and R 2 independently of one another are hydrogen; unsubstituted or substituted C 1 -C 12 alkyl; unsubstituted or substituted C 3 -C 12 cycloalkyl; unsubstituted or substituted C 6 -C 20 aryl; or unsubstituted or substituted C 2 -C 20 alkenyl; R 3 is PO 3 R 1 R 2 ; COOR 6 ; COR 7 ; CONR 7 R 8 ; —SO 2 R 6 ; CN; unsubstituted or substituted C 6 -C 20 aryl; R 4 is unsubstituted C 6 -C 20 aryl; or C 6 -C 20 aryl which is substituted by at least one C 1 -C 18 alkyl, C 1 -C 18 alkoxy, C 3 -C 12 cycloalkyl, hydroxy, amino, mono- or di-C 1 -C 18 alkylamino, —NR 10 COR 11 or the radical of formula (1a) or unsubstituted or substituted C 4 -C 20 heteroaryl; R 5 is hydrogen; substituted or unsubstituted C 1 -C 20 alkyl; unsubstituted or substituted C 3 -C 12 cycloalkyl; unsubstituted or substituted C 6 -C 20 aryl; or unsubstituted or substituted C 4 -C 20 heteroaryl; or R 4 and R 5 form a cycloaliphatic ring; R 6 , R 7 and R 8 independently from each other are hydrogen; C 1 -C 18 alkyl or C 3 -C 12 cycloalkyl, which may be substituted by one or more E and/or interrupted by one or more D; or C 6 -C 20 aryl, which may be substituted by G; or R 7 and R8 together form a five or six membered ring; D is —CO—; —COO—; —S—; —SO; —SO 2 —; —O—; —NR 9 —; SiR 12 R 13 —; —POR 14 —; —CR 15 ═CR 16 —; or —C≡C—; E is —OR 17 ; —SR 17 ; —NR 10 R 11 ; —NR 10 COR 11 ; —COR 11 ; —COOR 11 ; —CONR 10 R 11 ; —CN; halogen; SO 3 R 18 ; SO 2 R 18 ; PO 3 (R 18 ) 2 ; or PO 2 (R 18 ) 2 ; G is E; C 1 -C 18 alkyl, which is optionally interrupted by D; C 1 -C 18 perfluoroalkyl; C 1 -C 18 alkoxy, which is optionally substituted by E and/or interrupted by D; wherein R 9 , R 10 and R 11 , independently of each other are hydrogen; C 6 -C 18 aryl which is optionally substituted by C 1 -C 18 alkyl or C 1 -C 18 alkoxy; C 1 -C 18 alkyl, which is optionally interrupted by —O—; or R 10 and R 11 together form a five or six membered ring; R 12 and R 13 independently of each other are hydrogen; C 1 -C 18 alkyl; or C 6 -C 18 aryl which is optionally substituted by C 1 -C 18 alkyl; R 14 is C 1 -C 18 alkyl; or C 6 -C 18 aryl, which is optionally substituted by C 1 -C 18 alkyl; R 15 and R 16 independently of each other are hydrogen; C 6 -C 18 aryl which is optionally substituted by C 1 -C 18 alkyl or C 1 -C 18 alkoxy; or C 1 -C 18 alkyl which is optionally interrupted by —O—; R 17 is H; C 6 -C 18 aryl which is optionally substituted by C 1 -C 18 alkyl or C 1 -C 18 alkoxy; or C 1 -C 18 alkyl which is optionally interrupted by —O—; and R 18 is hydrogen; C 6 -C 18 aryl, which is optionally substituted by C 1 -C 18 alkyl or C 1 -C 18 alkoxy; or C 1 -C 18 alkyl, which is optionally interrupted by —O—; for the protecting of human and animal hair and skin from UV radiation. The UV filters of the present invention represent oil-soluble substances which advantageously absorb in the UV-A and UV-B region.
• VITAMIN D FORMING SUNSCREEN
  申请人：Armstrong Ernest T.

  公开号：US20110268678A1

  公开（公告）日：2011-11-03

  A composition suitable for providing protection against ultraviolet radiation containing one or more active ultraviolet radiation absorber through which ultraviolet radiation in approximately the 295 to 315 nanometer range is permitted to enter the skin in an amount sufficient for the body to produce a healthful and disease-opposing quantity of vitamin D 3 and chemical precursors thereof. The composition is particularly used in sunscreens promoting on the one hand vitamin D 3 production, on the other hand protecting the skin against harmful ultraviolet radiation.
• US9724544B2
  申请人：——

  公开号：US9724544B2

  公开（公告）日：2017-08-08