thymol succinate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: thymol succinate
• 英文别名: succinic acid bis-(2-isopropyl-5-methyl-phenyl ester)；Bernsteinsaeure-bis-(2-isopropyl-5-methyl-phenylester)；Bernsteinsaeure-dithymylester；Bis(5-methyl-2-propan-2-ylphenyl) butanedioate
• 化学式: C₂₄H₃₀O₄
• 分子量: 382.5
• InChiKey: HYLLWAGQLZTVLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  丁二酸 、 百里酚 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以52%的产率得到thymol succinate
  参考文献：
  名称：

  ESSENTIAL OIL DERIVATIVES, THEIR PREPARATION AND USES

  摘要：

  描述了一些衍生自精油的化合物，经过官能化以提高其抗菌、抗原虫和抗病毒活性，降低其挥发性并改变其在特定溶剂中（尤其是水中）的溶解性。此外，相较于起始精油，这些化合物的口感也得到了显著改善。这些化合物被设计用作食品中的食品成分，用于营养目的和额外营养（作为益生元）目的，无论是在人类还是动物饲料行业中，即使这些化合物也可以成功用于化妆品、洗涤剂和一般微生物负载控制。

  公开号：

  US20180265804A1

文献信息

• Bischoff; von Hedenstroem, Chemische Berichte, 1902, vol. 35, p. 4081
  作者：Bischoff、von Hedenstroem

  DOI：——

  日期：——
• Microwave-assisted Sinthesis of Thymyl Ethers and Esters in Aqueous Medium
  作者：D. H. More、N. S. Pawar、P. M. Dewang、S. L. Patil、P. P. Mahulikar

  DOI：10.1023/b:rugc.0000025504.59745.09

  日期：2004.2

  Various thymyl ethers and esters have been synthesized by reactions of thymol with alkyl halides and acid chlorides, respectively, in aqueous medium under environmentally benign conditions using microwave irradiation. The products are important as potent pest managing agents.
• SYNTHESIS OF THYMYL ETHERS AND ESTERS USING POLYMER-SUPPORTED THYMOL ANION
  作者：P. P. Kumbhar、U. R. Kapadi、D. G. Hundiwale、S. B. Attarde、P. M. Dewang、N. S. Pawar

  DOI：10.1080/00304940009355961

  日期：2000.12
• MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS SEED TREATMENTS
  申请人：KITTRICH CORPORATION

  公开号：US20210235693A1

  公开（公告）日：2021-08-05

  Disclosed are compounds having a monoterpenoid and/or phenylpropanoid moiety and methods of their making and use as pesticidal compounds, such as seed treatments.
• [EN] ESSENTIAL OIL DERIVATIVES, THEIR PREPARATION AND USES<br/>[FR] DÉRIVÉS D'HUILES ESSENTIELLES, LEUR PRÉPARATION ET LEURS UTILISATIONS
  申请人：VOLARE & CONNECTING LLC

  公开号：WO2016185249A1

  公开（公告）日：2016-11-24

  Compounds are described which are derivatives of essential oils, functionalized in order to improve their antibacterial, antiprotozoal and antiviral activity, reduce their volatility and modify their solubility in certain solvents, particularly water. Additionally, also the palatability has been significantly improved with respect to the starting essential oils. These compounds are designed 5 to be used as food ingredients in food products for nutritional purposes and extra-nutritional (as prebiotics) purposes, in both human and animal feed industries, even if these compounds can be successfully used also in cosmetics, detergents and for the control of the microbial load in general.