Phenolphthaleine dibenzoyl ether | 1746-02-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: Phenolphthaleine dibenzoyl ether
• 英文别名: Phenolphthalein-dibenzoat；3,3-bis-(4-benzoyloxy-phenyl)-3H-isobenzofuran-1-one；3,3-bis-(4-benzoyloxy-phenyl)-phthalide；3,3-Bis-(4-benzoyloxy-phenyl)-phthalid；1(3H)-Isobenzofuranone, 3,3-bis[4-(benzoyloxy)phenyl]-；[4-[1-(4-benzoyloxyphenyl)-3-oxo-2-benzofuran-1-yl]phenyl] benzoate
• CAS: 1746-02-7
• 化学式: C₃₄H₂₂O₆
• mdl: MFCD00222304
• 分子量: 526.545
• InChiKey: CGOXICMZEHKKAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  酚酞啉 、 苯甲酸 在 PPA 作用下， 生成 Phenolphthaleine dibenzoyl ether
  参考文献：
  名称：

  Nakazawa; Matsuura, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1954, vol. 74, p. 69

  摘要：

  DOI：

文献信息

• Economical, efficient, and environmentally friendly synthesis strategy of O-Alkylation strategy based on phenolphthalein reactions with electrophiles: Characterization, DFT study, and molecular docking
  作者：Y. Fernine、N. Arrousse、R. Haldhar、O. Merzouki、S. Dalbouha、E.H. Mabrouk、F. EL Hajjaji、M. Ebn Touhami、Seong-Cheol Kim、M. Taleb

  DOI：10.1016/j.molstruc.2022.133424

  日期：2022.10

  A new series of phenolphthalein derivatives were obtained by an esterification of diols function of phenolphthalein product. The synthesis of a series of (3, 3-bis (4-hydroxyphenyl)-2-benzofuran-1-one) derivatives (R1) was carried out using O-alkylation reactions of phenolphthalein (R1) with different electrophiles (4-toluenesulfonyl chloride (2a), benzoyl chloride (2b), and acetic anhydride (2c))

  通过酚酞产物的二醇官能团酯化，得到了一系列新的酚酞衍生物。利用酚酞 ( R1 ) 与不同亲电子试剂 (4-甲苯磺酰基)的 O-烷基化反应合成一系列 (3, 3-双 (4-羟基苯基)-2-苯并呋喃-1-酮)氯化物 ( 2a )、苯甲酰氯 ( 2b ) 和乙酸酐 ( 2c ))) 在碱性介质中不使用催化剂。合成的化合物通过 1H 和 13C NMR 光谱技术进行表征。红外（IR）和吸收光谱表明酚酞衍生物在具有弱吸附带的碱性介质中保持稳定。理论计算结果（DFT）与实验合成机制吻合良好。合成分子的理论计算机毒性研究表明，产品（P1、P2和P3）被归类为环保化合物。此外，使用 Auto-Dock Vina 程序分析了化合物P1、P2和P3与 KSHV 胸苷酸合酶结合蛋白 (PDB: 5H38) 的分子对接研究。化合物P2显示-10.9 kcal/mol，而化合物P1和P3显示-10.0 kcal/mol的结合分数。
• Bistrzycki; Nencki, Chemische Berichte, 1896, vol. 29, p. 132
  作者：Bistrzycki、Nencki

  DOI：——

  日期：——
• Colour-Forming Materials, Contact Recording Devices and Pressure Recording Devices
  申请人：ACTIVE DEVICE DEVELOPMENT LIMITED

  公开号：US20150283839A1

  公开（公告）日：2015-10-08

  The present invention relates to devices and apparatus for detecting contact and optionally its duration and/or recording the level of pressure and/or its duration and/or recording the level of shear force and/or its duration. In particular, certain embodiments of the present invention relate to devices which comprise an element comprising a hydrophobic material and a colour-forming material dispersed in at least a portion of the hydrophobic material. Certain embodiments of the present invention relates to materials comprising a solid dispersion of a colour-forming material in an elastomeric hydrophobic material. The solid dispersion may take the form of a molecular dispersion or a partial molecular dispersion. Also included in the present invention, although not exclusively, are devices which comprise a hydrophobic material, a colour-forming material and a colour developing material wherein the colour forming material and the colour developing material are brought into contact when pressure of a predetermined threshold level is applied or removed from the device.
• MOISTURE INDICATING HYDROPHILIC POLYURETHANE
  申请人：ACTIVE DEVICE DEVELOPMENT LIMITED

  公开号：US20150272495A1

  公开（公告）日：2015-10-01

  The present invention relates at least in part to devices which are capable of indicating the presence of moisture. Embodiments of the present invention involve the provision of a solid dispersion of a colour-forming material in a hydrophilic polyurethane material. In particular, although not exclusively, the present invention relates to devices comprising foam, e.g., hydrophilic polyurethane foam and a colour former. Also included in the embodiments of the present invention are methods comprising the use of the devices, and other subject matter.
• US9504421B2
  申请人：——

  公开号：US9504421B2

  公开（公告）日：2016-11-29