4-(2,4-Dimethyl-phenoxy)-butyric acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(2,4-Dimethyl-phenoxy)-butyric acid
• 英文别名: 4-(2,4-Dimethylphenoxy)butanoic acid
• 化学式: C₁₂H₁₆O₃
• mdl: MFCD03268146
• 分子量: 208.257
• InChiKey: OLCDCKDJWZYWDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2,4-Dimethyl-phenoxy)-butyric acid 、 (3S)-1,2,3,4-Tetrahydro-3-isoquinolyl tetrahydro-1H-pyrrol-1-yl ketone 在 1-羟基苯并三唑 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Automated parallel synthesis of a tetrahydroisoquinolin-based library: Potential prolyl endopeptidase inhibitors

  摘要：

  Solution-phase automated parallel synthesis of a Tie-based library is described. This library comprising 2560 members, was obtained from the combination of 80 carboxylic acids and 32 amines and was screened against Tc80 protease, a parasitic prolyl endopeptidase secreted by Trypanosoma cruzi. Pyrrolidine derivatives proved the most potent inhibitors with IC50 values found in the low nanomolar range. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00003-7
• 作为产物：
  描述：

  Ethyl 4-(2,4-dimethylphenoxy)butanoate 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 4-(2,4-Dimethyl-phenoxy)-butyric acid
  参考文献：
  名称：

  铜绿假单胞菌 PAO1 群体感应抑制剂的设计、合成和生物学评价

  摘要：

  由于革兰氏阴性菌铜绿假单胞菌 PAO1 对大多数临床相关抗菌药物具有耐药性，因此在医院使用传统抗生素治疗具有挑战性。生物膜的形成受铜绿假单胞菌（PA）群体感应（QS）系统的调节，是产生耐药性的重要原因。铜绿假单胞菌存在三个主要的QS系统：las系统、rhl系统和pqs系统。 las系统的抑制剂是研究最多的。此前筛选时发现化合物AOZ-1对las系统有一定的抑制作用。本研究通过修饰AOZ-1的接头和环，设计并合成了24种化合物。本研究以 C. violaceum CV026 作为报告菌株，首先评估了新化合物对 QS 的抑制作用，并研究了其 SAR。然后，基于化合物AOZ-1衍生物的SAR分析，替换AOZ-1的母核，探索其结构多样性。然后，以3-氨基-四氢-1,3-恶嗪-2-酮为核心，设计并合成了9个新化合物。发现化合物 Y-31 (IC50 = 91.55 ± 3.35 µM) 可抑制 C.

  DOI：

  10.3390/molecules29102211

文献信息

• COMPOUND OR ITS TAUTOMER, METAL COMPLEX COMPOUND, COLORED PHOTOSENSITIVE CURING COMPOSITION, COLOR FILTER, AND PRODUCTION
  申请人：MIZUKAWA Yuki

  公开号：US20120238752A1

  公开（公告）日：2012-09-20

  Provided is a colored photosensitive curing composition useful for color filters in primary colors, including blue, green, and red, having a high molar absorption coefficient and allowing a reduction in film thickness and superior color purity and fastness. A colored photosensitive curing composition, comprising, as its colorant, a dipyrromethene-based metal complex compound obtained from a metal or metal compound and a dipyrromethene-based compound represented by the following Formula (I): wherein in Formula (I), R 1 to R 6 each independently represent a hydrogen atom or a substituent group; and R 7 represents a hydrogen or halogen atom, or an alkyl, aryl or heterocyclic group.

  提供的是一种有用于原色彩色滤光片的彩色光敏固化组合物，包括蓝色、绿色和红色，具有高摩尔吸收系数，可减少薄膜厚度，具有优越的颜色纯度和牢固度。 一种彩色光敏固化组合物，包括作为其着色剂的从金属或金属化合物获得的基于二吡咯甲烷的金属配合物化合物和由以下式（I）表示的基于二吡咯甲烷的化合物，其中在式（I）中，R1至R6各自独立地表示氢原子或取代基；R7表示氢或卤素原子，或烷基、芳基或杂环基。
• Compound or its tautomer, metal complex compound, colored photosensitive curing composition, color filter, and production
  申请人：Mizukawa Yuki

  公开号：US20080076044A1

  公开（公告）日：2008-03-27

  Provided is a colored photosensitive curing composition useful for color filters in primary colors, including blue, green, and red, having a high molar absorption coefficient and allowing a reduction in film thickness and superior color purity and fastness. A colored photosensitive curing composition, comprising, as its colorant, a dipyrromethene-based metal complex compound obtained from a metal or metal compound and a dipyrromethene-based compound represented by the following Formula (I): wherein in Formula (I), R 1 to R 6 each independently represent a hydrogen atom or a substituent group; and R 7 represents a hydrogen or halogen atom, or an alkyl, aryl or heterocyclic group.
• US8197994B2
  申请人：——

  公开号：US8197994B2

  公开（公告）日：2012-06-12
• US8367282B2
  申请人：——

  公开号：US8367282B2

  公开（公告）日：2013-02-05
• Automated parallel synthesis of a tetrahydroisoquinolin-based library: Potential prolyl endopeptidase inhibitors
  作者：Sandrine Vendeville、Line Bourel、Elisabeth Davioud-Charvet、Philippe Grellier、Benoît Deprez、Christian Sergheraert

  DOI：10.1016/s0960-894x(99)00003-7

  日期：1999.2

  Solution-phase automated parallel synthesis of a Tie-based library is described. This library comprising 2560 members, was obtained from the combination of 80 carboxylic acids and 32 amines and was screened against Tc80 protease, a parasitic prolyl endopeptidase secreted by Trypanosoma cruzi. Pyrrolidine derivatives proved the most potent inhibitors with IC50 values found in the low nanomolar range. (C) 1999 Elsevier Science Ltd. All rights reserved.