己基3,5-二羟基苯甲酸酯 | 37622-61-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 己基3,5-二羟基苯甲酸酯
• 英文名称: hexyl 3,5-dihydroxylbenzoate
• 英文别名: hexyl 3,5-dihydroxybenzoate；hexyl 3,5-dihydrobenzoate；3,5-dihydroxy-benzoic acid hexyl ester；3,5-Dihydroxy-benzoesaeure-hexylester
• CAS: 37622-61-0
• 化学式: C₁₃H₁₈O₄
• 分子量: 238.284
• InChiKey: MRHOQBCRNPQAPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  己基3,5-二羟基苯甲酸酯 、 以 氘代氯仿 为溶剂， 生成
  参考文献：
  名称：

  Porphyrin Clips Derived from Diphenylglycoluril. Synthesis, Conformational Analysis, and Binding Properties

  摘要：

  With the aim to construct synthetic systems that function according to the principles of enzymes, molecular clips based on diphenylglycoluril were covalently attached to (metallo)porphyrins. Two different porphyrin clips, 1 and 2, were synthesized that differ in the length and position of the linker between the clip and the porphyrin. This resulted in a great difference in flexibility of the cavity molecules, which had remarkable consequences for their binding properties in organic solution. The physical properties of the free base and zinc porphyrin clips have been studied in detail with NMR techniques and by the host-guest binding of viologen, dihydroxybenzene, and pyridine derivatives.

  DOI：

  10.1021/jo990112c
• 作为产物：
  描述：

  在 deprotecting, hydrogenating reagent 作用下， 生成 己基3,5-二羟基苯甲酸酯
  参考文献：
  名称：

  Inhibitory effects of cardols and related compounds on superoxide anion generation by xanthine oxidase

  摘要：

  5-Pentadecatrienylresorcinol, isolated from cashew nuts and commonly known as cardol (C-15:3), prevented the generation of superoxide radicals catalysed by xanthine oxidase without the inhibition of uric acid formation. The inhibition kinetics did not follow the Michelis-Menten equation, but instead followed the Hill equation. Cardol (C-10:0) also inhibited superoxide anion generation, but resorcinol and cardol (C-5:0) did not inhibit superoxide anion generation. The related compounds 3,5-dihydroxyphenyl alkanoates and alkyl 2,4-dihydroxybenzoates, had more than a C9 chain, cooperatively inhibited but alkyl 3,5-dihydroxybenzoates, regardless of their alkyl chain length, did not inhibit the superoxide anion generation. These results suggested that specific inhibitors for superoxide anion generation catalysed by xanthine oxidase consisted of an electron-rich resorcinol group and an alkyl chain having longer than C9 chain. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.foodchem.2014.06.021

文献信息

• Self-assembling properties of a series of homologous ester-diamides – from ribbons to nanotubes
  作者：François-Xavier Simon、Thi Thanh Tam Nguyen、Nancy Díaz、Marc Schmutz、Bruno Demé、Jacques Jestin、Jérôme Combet、Philippe J. Mésini

  DOI：10.1039/c3sm51369f

  日期：——

  We have studied the aggregation properties of a series of compounds BHPB-n bearing two amide groups and an ester alkyl chain. The number (n) of carbon atoms in this alkyl chain has been varied from 5 to 16. These compounds form gels at low concentration in alkanes. The gel concentrations and the heats of formation of the gels, measured by DSC, are divided into three different regimes: n ≤ 7, 8 ≤ n

  我们研究了一系列带有两个酰胺基和一个酯烷基链的化合物BHPB- n的聚集性质。该烷基链中的碳原子数（n）为5至16。这些化合物在烷烃中形成低浓度的凝胶。凝胶的浓度和形成凝胶，通过DSC测量的预赛，分为三个不同的制度：Ñ ≤7,8≤ Ñ ≤12和Ñ ≥13.冷冻断裂透射电镜显示，所有化合物自组装成高纵横比的目的，即用于扁平带ñ ≤7个不规则为螺旋带ñ ≥13.对于8≤ ñ≤12时，化合物形成管（BHPB-11除外），并由SANS研究。用成对的管子模型由散射强度确定管子的外径和内径分布。直径由酯链的长度（n）控制，范围从BHPB-8的21到BHPB-12的32 nm（外径）不等。SANS测量还提供了成对管的比例以及最终与这些管共存的非管状物体的比例的估计值。可变温度FTIR和DSC证明，酰胺基团之间的H键参与所有类型的自组装。此外，螺旋带和纳米管的FTIR光谱显示出一个双酯ν CO 带子，而平
• Molecular Design of Antifungal Agents
  作者：Isao Kubo、Ping Xiao、Ken-ichi Nihei、Ken-ichi Fujita、Yoshiro Yamagiwa、Tadao Kamikawa

  DOI：10.1021/jf020088v

  日期：2002.7.1

  In a rational approach to the design of antifungal agents against Saccharomyces cerevisiae, a series of alkyl gallates (3,4,5-trihydroxybenzoates) were synthesized and assayed. Nonyl gallate (1) was found to be the most effective with a minimum fungicidal concentration (MFC) of 12.5 microg/mL (42 microM), followed by octyl gallate (2) with an MFC of 25 microg/mL (89 microM). These MFCs are little influenced

  在设计啤酒酵母抗真菌剂的合理方法中，合成了一系列烷基没食子酸酯（3,4,5-三羟基苯甲酸酯）并进行了分析。没食子酸壬酯（1）最有效，最小杀真菌剂浓度（MFC）为12.5 microg / mL（42 microM），其次为没食子酸辛酯（2），MFC为25 microg / mL（89 microM）。这些MFC受pH值的影响很小。时间杀灭曲线研究表明，没食子酸壬酯在任何生长阶段均表现出对啤酒酵母的杀真菌活性。没食子酸壬酯的抗真菌活性主要是由于其充当非离子表面活性剂（表面活性剂）的能力。烷基的长度不是主要的贡献因素，但是在很大程度上引起活性方面起作用。就没食子酸烷基酯而言，
• Nematocidal Principles in "Oakmoss Absolute" and Nematocidal Activity of 2, 4-Dihydroxybenzoates
  作者：Ali Mohammad AHAD、Yoshihisa GOTO、Fumiyuki KIUCHI、Yoshisuke TSUDA、Kaoru KONDO、Toshiya SATO

  DOI：10.1248/cpb.39.1043

  日期：1991.4.25

  Nematocidal principles obtained from oakmoss absolute were identified as methyl 2, 4-dihydroxy-3, 6-dimethylbenzoate (2), ethyl 3-formyl-2, 4-dihydroxy-6-methylbenzoate (4), and ethyl 5-chloro-3-formyl-2, 4-dihydroxy-6-methylbenzoate (7). In relation to their structures, the nematocidal activity of 2, 4-dihydroxybenzoates of methyl to tetradecyl was tested and the strongest activity was found in the octyl ester (minimal lethal concentration=13 μM).

  从橡树苔中提取的杀线虫物质被鉴定为 2，4-二羟基-3，6-二甲基苯甲酸甲酯（2）、3-醛基-2，4-二羟基-6-甲基苯甲酸乙酯（4）和 5-氯-3-醛基-2，4-二羟基-6-甲基苯甲酸乙酯（7）。根据它们的结构，测试了甲基至十四烷基的 2，4-二羟基苯甲酸酯的杀线虫活性，发现辛酯的活性最强（最小致死浓度=13 μM）。
• HAIR DEFORMATION TREATMENT AGENT
  申请人：Kao Corporation

  公开号：EP3228300A1

  公开（公告）日：2017-10-11

  An agent for hair deforming treatment comprising the following components (A), (B) and (C) : (A) glyoxylic acid, or a hydrate or a salt thereof, (B) resorcin, and (C) water, wherein the molar ratio of the content of the component (B) to the content of the component (A), (B)/(A), is 0.2 or more and 5 or less.

  一种用于头发变形处理的药剂，由以下成分组成(A)、(B)和(C)： (A) 乙二酸，或其水合物或鹽、 (B) 间苯二酚，以及 (C) 水、 其中(B)组分含量与(A)组分含量的摩尔比(B)/(A)为 0.2 或 0.2 以上 5 或 5 以下。
• Hair cosmetic composition
  申请人：KAO CORPORATION

  公开号：US10959925B2

  公开（公告）日：2021-03-30

  The hair cosmetic composition of the present invention, which is a one-agent type or a multi-agent type hair cosmetic composition, contains, the following components (A) to (D), the component (C) content, relative to the total composition of the hair cosmetic composition, being 0.1 mass % or higher and lower than 20 mass %: (A): a compound selected from the group consisting of glyoxylic acid, a glyoxylic acid hydrate, a glyoxylate salt, and a glyoxylamide; (B): a phenolic compound having an electron-donating group on at least one m-position and having a hydrogen atom on at least one of the o-positions and the p-position, wherein the electron-donating group on the m-position may form, together with an adjacent carbon atom, a benzene ring optionally substituted with hydroxyl group(s); (C): an organic solvent having a boiling point of 100° C. or higher; and (D): water.

  本发明的头发化妆品组合物是一种单药剂型或多药剂型头发化妆品组合物，含有以下成分（A）至（D），其中成分（C）的含量相对于头发化妆品组合物的总成分而言，大于或等于 0.1 质量%，小于 20 质量%： (A): 选自乙醛酸、乙醛酸水合物、乙醛酸盐和乙醛酰胺组成的化合物； (B) 一种酚类化合物，其至少一个 m 位上有一个电子供体，至少一个 o 位和 p 位上有一个氢原子，其中 m 位上的电子供体可与相邻的碳原子一起形成一个任选被羟基取代的苯环； (C) 沸点为 100 摄氏度或更高的有机溶剂；以及 (D) 水。