(E)-3-(4-methylamino-phenyl)-acrylic acid ethyl ester | 1127349-88-5

• 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
• 英文名称: (E)-3-(4-methylamino-phenyl)-acrylic acid ethyl ester
• 英文别名: ethyl (E)-3-[4-(methylamino)phenyl]prop-2-enoate
• CAS: 1127349-88-5
• 化学式: C₁₂H₁₅NO₂
• 分子量: 205.257
• InChiKey: CVUQDKFMNFNGOH-RMKNXTFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  ethyl (E)-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]prop-2-enoate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (E)-3-(4-methylamino-phenyl)-acrylic acid ethyl ester
  参考文献：
  名称：

  Dual emission from (E)-3-(4-methylamino-phenyl)-acrylic acid ethyl ester (MAPAEE) and its application as fluorescence probe for studying micellar and protein microenvironment

  摘要：

  Steady state absorption, fluorescence and time resolved fluorescence spectroscopy have been used for studying the photoinduced intramolecular charge transfer reaction in (E)-3-(4-methylamino-phenyl)acrylic acid ethyl ester (MAPAEE). The title molecule shows dual emission due to high energy local and a low energy charge transfer emission. Depending on the nature of solvent the red shifted emission band shows good correlation with the solvent polarity parameter, E-T(30) parameter and hydrogen bonding parameter. Quantum chemicals calculations by density functional theory predict that a stabilized twisted intrarnolecular charge transfer excited state generated either by twisting of the donor group (-NHMe) or the acceptor (- = -COOEt) group is responsible for the red shifted charge transfer emission. The solvent polarity dependent red shifted emission from the excited charge transfer state of MAPAEE has been used as fluorosensor to study bovine serum albumin proteinous and sodium dodecyl sulphate micellar microenvironment. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.07.007

文献信息

• Analogs of proxisome proliferator activated receptor (PPAR) agonists and methods of using the same
  申请人：The University of Toledo

  公开号：US10776461B2

  公开（公告）日：2020-09-15

  Peroxisome proliferator activated receptor (PPAR) compounds, and methods of using the same for treating bone fractures, treating osteoporosis and/or metabolic bone diseases, and inducing osteogenesis and/or chondrogenesis, are disclosed.

  本研究公开了过氧化物酶体增殖物激活受体（PPAR）化合物，以及使用该化合物治疗骨折、治疗骨质疏松症和/或代谢性骨病、诱导骨生成和/或软骨生成的方法。
• DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS
  申请人：PHARMACIA & UPJOHN S.p.A.

  公开号：EP0912509A1

  公开（公告）日：1999-05-06
• BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS
  申请人：Novartis AG

  公开号：EP2958907B1

  公开（公告）日：2018-02-28
• Analogs of Proxisome Proliferator Activated Receptor (PPAR) Agonists and Methods of Using the Same
  申请人：The University of Toledo

  公开号：US20190147147A1

  公开（公告）日：2019-05-16

  Peroxisome proliferator activated receptor (PPAR) compounds, and methods of using the same for treating bone fractures, treating osteoporosis and/or metabolic bone diseases, and inducing osteogenesis and/or chondrogenesis, are disclosed.
• US6177408B1
  申请人：——

  公开号：US6177408B1

  公开（公告）日：2001-01-23