ethyl 2,2-dimethylbenzo[1,3]dioxole-5-carboxylate | 851669-00-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: ethyl 2,2-dimethylbenzo[1,3]dioxole-5-carboxylate
• 英文别名: ethyl 2,2-dimethylbenzo[d][1,3]dioxole-5-carboxylate；ethyl 2,2-dimethyl-2H-1,3-benzodioxole-5-carboxylate；ethyl 2,2-dimethyl-1,3-benzodioxole-5-carboxylate
• CAS: 851669-00-6
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: AYZJJLLPGTZFMB-UHFFFAOYSA-N

物化性质

• 沸点：
  294.6±9.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  ethyl 2,2-dimethylbenzo[1,3]dioxole-5-carboxylate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以83%的产率得到(2,2-dimethylbenzo[d][1,3]dioxol-5-yl)methanol
  参考文献：
  名称：

  肽支架上的模板化发色团组装：结构演变。

  摘要：

  使用带有预编程受体位点的模板在给定位置选择性容纳发色团是工程人工采光系统的一种有吸引力的方法。沉迷于这种思路，这项工作解决了使用黄色，红色和蓝色生色团的量身定制的天线架构的创建，同时利用了三个动态共价反应，即二硫键交换，酰基formation和硼酸酯的形成。通过稳态UV / Vis吸收和荧光光谱学研究了各种结构修饰，例如生色团及其空间组织（距离，方向，顺序）对天线内能量转移的影响。这项系统的研究使发色团与蓝色受体之间的黄色和红色供体的能量转移效率显着提高，分别达到了显着的22％和15％。元动力学模拟表明，天线的构象特性受分子内发色团相互作用的驱动，分子间发色团相互作用迫使α螺旋自身折叠，从而消除了由肽主链中受体侧空间排列的编程所产生的任何影响。

  DOI：

  10.1002/chem.201803205
• 作为产物：
  描述：

  原儿茶酸 在 硫酸 、 三氯化磷 作用下， 以 苯 为溶剂， 反应 12.0h， 生成 ethyl 2,2-dimethylbenzo[1,3]dioxole-5-carboxylate
  参考文献：
  名称：

  Synthesis of Catecholate Ligands with Phosphonate Anchoring Groups

  摘要：

  New catecholate ligands containing protected phosphonate anchoring groups in the 4-position of the catecholate ring were synthesized. The catechol 4-diethoxyphosphorylbenzene-1,2-diol, ((Et)phoscat)H-2, was prepared in three steps from pyrocatechol; whereas, the catechol 4-(diethoxyphosphorylmethyl)benzene-1,2-diol, ((Et)Bnphoscat)H-2, containing a methylene spacer between the catecholate ring and phosphonate anchor, was prepared from protocatechuic acid in six linear steps. Both catechol derivatives were further elaborated to their trimethylsilyl-protected counterparts to facilitate their binding to nanocrystalline metal oxides. Electronic spectroscopy and cyclic voltammetry were used to probe the electronic properties of the phosphonate-functionalized catecholates in charge-transfer complexes of the general formula (catecholate)Pd(pdi) (pdi = N,N'-bis(mesityl)phenanthrene-9,10-diimine). These studies show that attachment of the phosphonate anchor directly to the 4-position of the ((Et)phoscat)(2-) ligand significantly perturbs the donor ability of the catecholate ligand; however, incorporation of a single methylene spacer group in ((Et)Bnphoscat)(2-) helps to isolate catecholate from the electron-withdrawing phosphonate group.

  DOI：

  10.1021/acs.inorgchem.5b01191

文献信息

• Comestible compositions comprising high potency savory flavorants, and processes for producing them
  申请人：Senomyx, Inc.

  公开号：US08148536B2

  公开（公告）日：2012-04-03

  The present invention relates to the use of certain high potency savory (“umami”) taste modifiers, as savory flavoring agents and/or enhancers of monosodium glutamate, for the preparation of foods, beverages, and other comestible compositions, and to processes for preparing food flavorant compositions for use in the preparation of comestible food and drink.

  本发明涉及使用某些高效的鲜味（"鲜味"）味道调节剂，作为鲜味调味剂和/或谷氨酸钠的增强剂，用于制备食品、饮料和其他可食用组合物，并涉及用于制备用于制备可食用食品和饮料的食品香精组合物的过程。
• Novel flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof
  申请人：Tachdjian Catherine

  公开号：US20050084506A1

  公开（公告）日：2005-04-21

  The present invention relates to the discovery that certain non-naturally occurring, non-peptide amide compounds and amide derivatives, such as oxalamides, ureas, and acrylamides, are useful flavor or taste modifiers, such as a flavoring or flavoring agents and flavor or taste enhancer, more particularly, savory (the “umami” taste of monosodium glutamate) or sweet taste modifiers,—savory or sweet flavoring agents and savory or sweet flavor enhancers, for food, beverages, and other comestible or orally administered medicinal products or compositions.

  本发明涉及发现，某些非天然存在的非肽酰胺化合物和酰胺衍生物，如草酰胺、脲和丙烯酰胺，可用作风味或口味调节剂，例如风味或调味剂和风味或口味增强剂，更具体地说，是用于食品、饮料和其他可食用或口服药品或组合物的风味或口味调节剂，包括鲜味（味精的“鲜味”）或甜味调节剂，鲜味或甜味调味剂以及鲜味或甜味增强剂。
• 一种胺类仿生固化促进剂制备方法
  申请人：中国船舶重工集团公司第七二五研究所

  公开号：CN113185425B

  公开（公告）日：2022-09-16

  本发明属于促进剂制备技术领域，具体涉及一种胺类仿生固化促进剂制备方法，根据现有环氧、聚氨酯胶粘剂体系中含有的活性基团反应活性的特点，含邻苯二酚结构的3，4‑二羟基苯甲酸乙酯先与丙酮反应，对邻苯二酚基团进行缩酮保护，然后与含双胺基化合物反应，获得胺类仿生固化促进剂，基于促进剂中氨基基团能够与环氧基、异氰酸酯基反应，将其引入到环氧、聚氨酯胶粘剂体系，通过邻苯二酚结构有效提升胶粘剂在水环境中的粘结性能；其合成方法简单，使用方便，基于含有邻苯二酚结构的3,4‑二羟基苯甲酸乙酯化合物与双氨基化合物反应，生成含氨基和邻苯二酚结构的仿生固化促进剂，具有广阔的应用前景。
• COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM
  申请人：Shigemura Rhondi

  公开号：US20090280230A1

  公开（公告）日：2009-11-12

  The present invention relates to the use of certain high potency savory (“umami”) taste modifiers, as savory flavoring agents and/or enhancers of monosodium glutamate, for the preparation of foods, beverages, and other comestible compositions, and to processes for preparing food flavorant compositions for use in the preparation of comestible food and drink.

  本发明涉及使用特定高效的鲜香（"鲜味"）味道调节剂作为鲜味调味剂和/或增强剂，用于制备食品、饮料和其他可食用组合物，并涉及用于制备用于制备可食用食品和饮料的食品调味剂组合物的工艺。
• Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers
  申请人：Tachdjian Catherine

  公开号：US20060045953A1

  公开（公告）日：2006-03-02

  The inventions disclosed herein relate to non-naturally occurring amide compounds that are capable, when contacted with comestible food or drinks or pharmaceutical compositions at concentrations preferably on the order of about 100 ppm or lower, of serving as savory (“umami”) or sweet taste modifiers, savory or sweet flavoring agents and savory or sweet flavor enhancers, for use in foods, beverages, and other comestible or orally administered medicinal products or compositions, optionally in the presence of or in mixtures with conventional flavoring agents such as monosodium glutamate or known natural and artificial sweeteners.

  本发明涉及非自然存在的酰胺化合物，当与可食用食品或饮料或制药组成物以浓度优选为大约100 ppm或更低的浓度接触时，能够作为可口（"鲜味"）或甜味调节剂、可口或甜味调味剂和可口或甜味增强剂，在食品、饮料和其他可食用或口服药物或组成物中使用，可选地与常规调味剂如味精或已知的天然和人造甜味剂混合使用。