4-羟基-3-甲氧基苄基丁酸酯 | 1033762-90-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-羟基-3-甲氧基苄基丁酸酯
• 英文名称: 4-hydroxy-3-methoxybenzyl butanoate
• 英文别名: (4-Hydroxy-3-methoxyphenyl)methyl butanoate
• CAS: 1033762-90-1
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: IBKHHUOTHPULLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  O-tert-butyldimethylsilylvanillin 在 吡啶 、 盐酸 、 水 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 为溶剂， 反应 84.0h， 生成 4-羟基-3-甲氧基苄基丁酸酯
  参考文献：
  名称：

  Hansch模型在辣椒素和辣椒素中的应用：使用定量结构-活性关系的研究。辣椒素合成的新方法

  摘要：

  作为结构和活性之间定量关系研究的一部分，我们描述了两种类化合物的合成方法：辣椒素和辣椒素。总共合成了14个增加的侧链长度（从2到16个碳原子）的辣椒素。另外，已经合成了14个具有相同侧链的辣椒素以及衣壳和二氢衣壳，并且已经开发了用于合成这些化合物的新方法。产率为48.35至98.98％。已经发现，合成的辣椒素类和辣椒素类具有与天然化合物相似的亲脂性，并具有相似的生物学活性。与天然化合物相比，合成辣椒素和辣椒素的生物活性与亲脂性差异程度（较高或较低）成比例地降低。使用黄化的小麦测定生物活性（小麦胚芽鞘生物测定法，并通过将合成结果与其对应的天然化合物呈现的结果进行比较。发现的生物活性与合成化合物的亲脂性直接相关。

  DOI：

  10.1021/jf9035029

文献信息

• METHOD FOR THE CHEMICAL SYNTHESIS OF CAPSINOIDS
  申请人：Universidad De Cádiz

  公开号：EP2149548A1

  公开（公告）日：2010-02-03

  Method for the chemical synthesis of capsinoids, natural compounds with proven biological activity, from vanillin, comprising the protection of the alcohol group thereof, reduction of the aldehyde to alcohol, esterification of same and deprotection of the first protected alcohol group. In this way, the desired compounds are generated with high purity and said compounds can be easily separated with no mixing owing to the competitive esterification on the aromatic ring.

  从香草醛合成辣椒素类化合物的化学合成方法，包括对其醇基的保护，将醛还原为醇，酯化反应，以及对第一个保护的醇基的去保护。通过这种方式，可以高纯度地生成所需的化合物，并且由于芳香环上的酯化竞争，这些化合物可以轻松分离而无需混合。
• COMPOSITIONS COMPRISING DERIVATIVES OF ESSENTIAL OIL COMPOUNDS AND USE IN PERSONAL CARE PRODUCTS
  申请人：The Procter & Gamble Company

  公开号：EP2595642A2

  公开（公告）日：2013-05-29
• Compositions Comprising Derivatives Of Essential Oil Compounds And Use In Personal Care Products
  申请人：Scott Douglas Craig

  公开号：US20120014883A1

  公开（公告）日：2012-01-19

  Compositions containing one or more derivatives of essential oil compounds for use in personal care compositions, such as compositions for oral, throat and skin care are disclosed. These derivatives include acetals of parent essential oil aldehydes and ketones; esters or ethers of parent essential oil alcohols and phenolics; and esters of parent essential oil acids. Examples of parent essential oil aldehydes and ketones include citral, cinnamic aldehyde, ρ-anisaldehyde, vanillin, ethyl vanillin, heliotropin, carvone, and menthone. Examples of parent essential oil alcohols and phenolics include thymol, eugenol, isoeugenol, dihydroeugenol, carvacrol, carveol, geraniol, nerol, vanillyl alcohol, heliotropyl alcohol, ρ-anisyl alcohol, cinnamyl alcohol and β-ionol. Examples of parent essential oil acids include ρ-anisic acid, cinnamic acid, vanillic acid and geranic acid. The present compositions comprising essential oil derivatives are useful as base flavor or base perfume for incorporation into personal care products and to provide other benefits including antimicrobial efficacy. Optionally the compositions will contain additional antimicrobially- or anti-inflammatory-effective components including those also derived from plant essential oils or synthetic versions thereof.
• COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, DEVICE WITH THERMALLY CONDUCTIVE LAYER, AND METHOD FOR MANUFACTURING THERMALLY CONDUCTIVE MATERIAL
  申请人：FUJIFILE Corporation

  公开号：US20200291174A1

  公开（公告）日：2020-09-17

  A first object of the present invention is to provide a composition capable of forming a cured product (thermally conductive material) having excellent thermal conductivity. In addition, a second object of the present invention is to provide a thermally conductive material formed from the composition and a device with a thermally conductive layer. In addition, a third object of the present invention is to provide a method for manufacturing a thermally conductive material using the composition. The composition of the present invention includes a curing agent including an active hydrogen-containing functional group, and a main agent including a reactive group which reacts with the active hydrogen-containing functional group, in which the main agent and the curing agent respectively exhibit liquid crystallinity in a single state at a temperature of 150° C. or lower.
• [EN] COMPOSITIONS COMPRISING DERIVATIVES OF ESSENTIAL OIL COMPOUNDS AND USE IN PERSONAL CARE PRODUCTS<br/>[FR] COMPOSITIONS COMPRENANT DES DÉRIVÉS DE COMPOSÉS D'HUILES ESSENTIELLES ET LEUR UTILISATION DANS LES PRODUITS D'HYGIÈNE CORPORELLE
  申请人：PROCTER & GAMBLE

  公开号：WO2012012385A2

  公开（公告）日：2012-01-26

  Compositions containing one or more derivatives of essential oil compounds for use in personal care compositions, such as compositions for oral, throat and skin care are disclosed. These derivatives include acetals of parent essential oil aldehydes and ketones; esters or ethers of parent essential oil alcohols and phenolics; and esters of parent essential oil acids. Examples of parent essential oil aldehydes and ketones include citral, cinnamic aldehyde, ρ-anisaldehyde, vanillin, ethyl vanillin, heliotropin, carvone, and menthone. Examples of parent essential oil alcohols and phenolics include thymol, eugenol, isoeugenol, dihydroeugenol, carvacrol, carveol, geraniol, nerol, vanillyl alcohol, heliotropyl alcohol, ρ-anisyl alcohol, cinnamyl alcohol and β-ionol. Examples of parent essential oil acids include ρ-anisic acid, cinnamic acid, vanillic acid and geranic acid. The present compositions comprising essential oil derivatives are useful as base flavor or base perfume for incorporation into personal care products and to provide other benefits including antimicrobial efficacy. Optionally the compositions will contain additional antimicrobially- or anti-inflammatory-effective components including those also derived from plant essential oils or synthetic versions thereof.