3,5-Dibutoxy-benzoic acid methyl ester | 156447-51-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,5-Dibutoxy-benzoic acid methyl ester
• 英文别名: Methyl 3,5-dibutoxybenzoate；methyl 3,5-dibutoxybenzoate
• CAS: 156447-51-7
• 化学式: C₁₆H₂₄O₄
• 分子量: 280.364
• InChiKey: ZOLVYSOOLLARJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,5-Dibutoxy-benzoic acid methyl ester 在 lithium aluminium tetrahydride 、 偶氮二甲酸二异丙酯 、 一水合肼 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 氯仿 为溶剂， 反应 24.0h， 生成 1-[[3,5-bis[(3,5-dibutoxyphenyl)methoxy]phenyl]methyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
  参考文献：
  名称：

  Generation-Independent Dimerization Behavior of Quadruple Hydrogen-Bond-Containing Oligoether Dendrons

  摘要：

  A new series of self-assembling G1-G3 dendronized dimers bearing oligoether dendrons and a dimeric 2-ureido-4-pyrimidinone (UPy) quadruple hydrogen-bonding core were prepared and characterized. It was found that the nonpolar microenvironment created by the dendrons preserved the UPy unit in its DDAA tautomeric form. As a result, the stabilities of the dimers were exceptionally strong for all three generations (K-dim(.) > 2 x 10(7) M-1 in CDCl3 at 25 degrees C). Furthermore, the steric size of the dendrons did not exhibit a significant effect on their dimerization behavior.

  DOI：

  10.1021/ol0603716
• 作为产物：
  描述：

  3,5-二羟基苯甲酸 在 硫酸 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3,5-Dibutoxy-benzoic acid methyl ester
  参考文献：
  名称：

  [EN] DIARYL TREHALOSE COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS DE TRÉHALOSE DE DIARYLE ET LEURS UTILISATIONS

  摘要：

  本文披露了二芳基海藻糖化合物及其使用方法，例如作为疫苗佐剂。

  公开号：

  WO2019165114A1

文献信息

• The Introduction of Asymmetry into Alkyl-Decorated Fréchet-Type Dendrons
  作者：Edwin C. Constable、Stefan Graber、B. A. Hermann、Catherine E. Housecroft、Michael S. Malarek、Lukas J. Scherer

  DOI：10.1002/ejoc.200800134

  日期：2008.5

  A strategy for the introduction of asymmetry into Frechet-type dendrons bearing n-alkyl chains is described. Starting from a methyl 3,5-dihydroxybenzoate core, 3,5-bis(octyloxyphenyl)methoxy and 3,5-bis(alkoxyphenyl)methoxy units are introduced in a stepwise manner. The method is illustrated by the syntheses of four representative compounds having mixed n-octyl/n-butyl, n-octyl/n-hexyl, n-octyl/n-heptyl

  描述了将不对称性引入带有 n-烷基链的 Frechet 型树枝的策略。从3,5-二羟基苯甲酸甲酯核开始，以逐步方式引入3,5-双(辛氧基苯基)甲氧基和3,5-双(烷氧基苯基)甲氧基单元。该方法通过具有混合的正辛基/正丁基、正辛基/正己基、正辛基/正庚基和正辛基/正十二烷基取代基的四种代表性化合物的合成来说明。新化合物已通过光谱和质谱技术进行了表征。
• Sonication-induced self-assembly of flexible tris(ureidobenzyl)amine: from dimeric aggregates to supramolecular gels
  作者：Chao Deng、Ru Fang、Yangfan Guan、Juli Jiang、Chen Lin、Leyong Wang

  DOI：10.1039/c2cc33408a

  日期：——

  Tris(ureidobenzyl)amine derivatives 1a,b form dimeric aggregates in apolar solution and in the solid state. Specifically, the meta-substituted tris(urea) 1a is able to transform into supramolecular gels in certain solvents via sonication.

  三（脲基苄基）胺衍生物1a,b在非极性溶液和固态中形成二聚体聚集体。具体来说，元取代的三（脲）1a能够通过超声波在某些溶剂中转变为超分子凝胶。
• Donnio, Bertrand; Bruce, Duncan W., Journal of the Chemical Society, Dalton Transactions, 1997, # 16, p. 2745 - 2755
  作者：Donnio, Bertrand、Bruce, Duncan W.

  DOI：——

  日期：——
• Generation-Independent Dimerization Behavior of Quadruple Hydrogen-Bond-Containing Oligoether Dendrons
  作者：Chun-Ho Wong、Hak-Fun Chow、Sin-Kam Hui、Kong-Hung Sze

  DOI：10.1021/ol0603716

  日期：2006.4.1

  A new series of self-assembling G1-G3 dendronized dimers bearing oligoether dendrons and a dimeric 2-ureido-4-pyrimidinone (UPy) quadruple hydrogen-bonding core were prepared and characterized. It was found that the nonpolar microenvironment created by the dendrons preserved the UPy unit in its DDAA tautomeric form. As a result, the stabilities of the dimers were exceptionally strong for all three generations (K-dim(.) > 2 x 10(7) M-1 in CDCl3 at 25 degrees C). Furthermore, the steric size of the dendrons did not exhibit a significant effect on their dimerization behavior.
• [EN] DIARYL TREHALOSE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE TRÉHALOSE DE DIARYLE ET LEURS UTILISATIONS
  申请人：THE UNIV OF MONTANA

  公开号：WO2019165114A1

  公开（公告）日：2019-08-29

  Disclosed herein are diaryl trehalose compounds and methods of use thereof, for example as vaccine adjuvants.

  本文披露了二芳基海藻糖化合物及其使用方法，例如作为疫苗佐剂。