4-(3,4-二羟基苯基)丁酸 | 70217-89-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-(3,4-二羟基苯基)丁酸
• 英文名称: 4-phenylbutyric acid
• 英文别名: 3,4-Dihydroxy-phenylbuttersaeure；4-(3,4-Dihydroxyphenyl)butanoic acid
• CAS: 70217-89-9
• 化学式: C₁₀H₁₂O₄
• mdl: MFCD11618130
• 分子量: 196.203
• InChiKey: YTMIBYIGJIUJRU-UHFFFAOYSA-N

物化性质

• 熔点：
  113 - 114°C
• 沸点：
  424.4±30.0 °C(Predicted)
• 密度：
  1.336±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于二氯甲烷（少许）、DMSO（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙醇 、 4-(3,4-二羟基苯基)丁酸 生成 4-(3,4-dihydroxy-phenyl)-butyric acid ethyl ester
  参考文献：
  名称：

  Tamura et al., Nippon Nogeikagaku Kaishi, 1953, vol. 27, p. 318,320

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-二羟基苯甲醛 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 、 palladium 10% on activated carbon 、 potassium tert-butylate 、 水 、 氢气 、 potassium carbonate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 42.5h， 生成 4-(3,4-二羟基苯基)丁酸
  参考文献：
  名称：

  一种适用于抗病毒并具有抗炎作用的化合物及其制备方法与应用

  摘要：

  本发明涉及生物医药研发领域，具体涉及一种适用于抗病毒并具有抗炎作用的化合物及其制备方法与应用。本发明化合物的结构如下式A所示，其中每个变量如本文所定义。本发明通过对结构优化和构效关系研究，首次发现：本发明所发现和提供的化合物是SARS‑CoV‑23CL蛋白酶的共价抑制剂，是活性更强的3CL蛋白酶抑制剂并具有抗炎作用。#imgabs0#

  公开号：

  CN118580146A

文献信息

• Fragrance Compositions Comprising Ionic Liquids
  申请人：The Procter & Gamble Company

  公开号：US20170121633A1

  公开（公告）日：2017-05-04

  The present invention relates to a fragrance composition comprising ionic liquids for delayed evaporation of the perfume raw materials. The invention also relates to methods of use of the fragrance compositions for perfuming suitable substrates, particularly skin and hair.

  本发明涉及一种香精组合物，包括离子液体，用于延迟香水原料的挥发。该发明还涉及使用香精组合物来香味适合的基质的方法，特别是皮肤和头发。
• FRAGRANCE COMPOSITIONS COMPRISING IONIC LIQUIDS
  申请人：The Procter & Gamble Company

  公开号：EP3367999A1

  公开（公告）日：2018-09-05
• GENERIC HIGH-CAPACITY PROTEIN CAPTURE AND TUNABLE ELECTROCHEMICAL RELEASE
  申请人：Nyctea Technologies AB

  公开号：US20220409726A1

  公开（公告）日：2022-12-29

  An electrochemical catch-release system ( 1 ) for repeated use comprising pH-responsive polymers ( 2 ) covalently linked to a structure ( 3 ) via a monolayer ( 4 ) of eletrochemically insensitive aryl bonds, forming a polyelectrolyte arrangement ( 5 ), the polyelectrolyte arrangement ( 5 ) being arranged to, when the covalently bounded polymers ( 2 ) are in a neutral state, catch an entity ( 6 ) being a protein, a vesicle, or a compound modified with poly(ethylene glycol) by non-electrostatic interactions e.g. hydrogen bonds, and when the polymers ( 2 ) are in a charged state, release by electrostatic repulsion an entity ( 6 ) captured by the polyelectrolyte arrangement ( 5 ). The system also comprising a device ( 7 ) for applying an electrochemical potential to the polyelectrolyte arrangement ( 5 ) to induce a switch of the polyelectrolyte arrangement ( 5 ) from the neutral state to the charged state or the reverse in the presence of redox active species.
• [EN] FRAGRANCE COMPOSITIONS COMPRISING IONIC LIQUIDS<br/>[FR] COMPOSITIONS DE PARFUM COMPRENANT DES LIQUIDES IONIQUES
  申请人：PROCTER & GAMBLE

  公开号：WO2017075299A1

  公开（公告）日：2017-05-04

  The present invention relates to a fragrance composition comprising ionic liquids for delayed evaporation of the perfume raw materials. The invention also relates to methods of use of the fragrance compositions for perfuming suitable substrates, particularly skin and hair.
• [EN] GENERIC HIGH-CAPACITY PROTEIN CAPTURE AND TUNABLE ELECTROCHEMICAL RELEASE<br/>[FR] CAPTURE DE PROTÉINE GÉNÉRIQUE HAUTE CAPACITÉ ET LIBÉRATION ÉLECTROCHIMIQUE ACCORDABLE
  申请人：NYCTEA TECH AB

  公开号：WO2021107836A1

  公开（公告）日：2021-06-03

  An electrochemical catch-release system (1) for repeated use comprising pH- responsive polymers (2) covalently linked to a structure (3) via a monolayer (4) of eletrochemically insensitive aryl bonds, forming a polyelectrolyte arrangement (5), the polyelectrolyte arrangement (5) being arranged to, when the covalently bounded polymers (2) are in a neutral state, catch an entity (6) being a protein, a vesicle, or a compound modified with poly(ethylene glycol) by non-electrostatic interactions e.g. hydrogen bonds, and when the polymers (2) are in a charged state, release by electrostatic repulsion an entity (6) captured by the polyelectrolyte arrangement (5). The system also comprising a device (7) for applying an electrochemical potential to the polyelectrolyte arrangement (5) to induce a switch of the polyelectrolyte arrangement (5) from the neutral state to the charged state or the reverse in the presence of redox active species.