3-(4-methoxy-3-((methylsulfonyl)oxy)phenyl)-3-methylbutanoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-(4-methoxy-3-((methylsulfonyl)oxy)phenyl)-3-methylbutanoic acid
• 英文别名: 3-(3-methanesulfonyloxy-4-methoxyphenyl)-3-methylbutyric acid；3-(4-methoxy-3-methylsulfonyloxyphenyl)-3-methylbutanoic acid
• 化学式: C₁₃H₁₈O₆S
• 分子量: 302.348
• InChiKey: WHQNSQVWAAJHGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  98.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-methoxyphenyl mesylate 在 盐酸 、 sodium hydroxide 、 硫酸 作用下， 以 水 为溶剂， 生成 3-(4-methoxy-3-((methylsulfonyl)oxy)phenyl)-3-methylbutanoic acid
  参考文献：
  名称：

  Novel intermediate for sweetener with high sweetness and process forproducing the same

  摘要：

  本发明涉及一种3-取代苯基-3-甲基丁酸和3-取代苯基-3-甲基醛衍生物，这些衍生物在生产N-[N-[3-(3-羟基-4-甲氧基苯基)-3-甲基丁基]-L-α-天冬氨酸]-L-苯丙氨酸1-甲酯方面有用，该物质是一种具有高甜味强度的甜味剂。

  公开号：

  US20030216592A1

文献信息

• [EN] SWEET FLAVOR MODIFIER<br/>[FR] MODIFICATEUR D'ARÔME ÉDULCORANT
  申请人：SENOMYX INC

  公开号：WO2014025706A1

  公开（公告）日：2014-02-13

  The present invention includes compounds having structural formula (I), or salts or solvates thereof. These compounds are useful as sweet flavor modifiers. The present invention also includes compositions comprising the present compounds and methods of modulating the sweet taste of compositions.

  本发明包括具有结构式（I）的化合物，或其盐或溶剂合物。这些化合物可用作甜味调味剂。本发明还包括包含本化合物的组合物以及调节组合物甜味的方法。
• Novel intermediate for sweetener with high sweetness and process for producing the same
  申请人：Ajinomoto Co., Inc.

  公开号：US20040133027A1

  公开（公告）日：2004-07-08

  The present invention relates to a 3-substituted-phenyl-3-merthylbutyric acid and 3-substituted-phenyl-3-merthylaldehyde derivatives, which are useful in the production of N-[N-[3-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl]-L-&agr;-aspartyl]-L-phenylalanine 1-methyl ester, which is a sweetener with high sweetening potency.

  本发明涉及3-取代苯基-3-甲基丁酸和3-取代苯基-3-甲基醛衍生物，其在生产N-[N-[3-(3-羟基-4-甲氧基苯基)-3-甲基丁基]-L-α-天冬氨酸]-L-苯丙氨酸1-甲酯（一种具有高甜度的甜味剂）方面有用。
• Sweet flavor modifier
  申请人：Senomyx, Inc.

  公开号：US08877922B2

  公开（公告）日：2014-11-04

  The present invention includes compounds having structural formula (I): or salts or solvates thereof. These compounds are useful as sweet flavor modifiers. The present invention also includes compositions comprising the present compounds and methods of modulating the sweet taste of compositions.

  本发明包括具有结构式（I）的化合物，或其盐或溶剂化物。这些化合物可用作甜味调节剂。本发明还包括包含本发明化合物的组合物和调节组合物甜味的方法。
• SWEET FLAVOR MODIFIER
  申请人：SENOMYX, INC.

  公开号：US20150031684A1

  公开（公告）日：2015-01-29

  The present invention includes compounds having structural formula (I), or salts or solvates thereof. These compounds are useful as sweet flavor modifiers. The present invention also includes compositions comprising the present compounds and methods of modulating the sweet taste of compositions.

  本发明包括具有结构式(I)的化合物或其盐或溶剂合物。这些化合物可用作甜味调节剂。本发明还包括包含这些化合物的组合物和调节组合物甜味的方法。
• NOVEL INTERMEDIATE FOR SWEETENER WITH HIGH SWEETNESS AND PROCESS FOR PRODUCING THE SAME
  申请人：Ajinomoto Co., Inc.

  公开号：EP1236713A1

  公开（公告）日：2002-09-04

  From a butyric acid derivative which can be easily and efficiently produced by reacting a hydroxyl-protective derivative of 2-methoxy phenol, wherein the hydroxyl group of 2-methoxy phenol is protected in the form of a sulfonic acid ester (sulfonate), with a 3-methylcrotonic acid in the presence of an acid, a 3-(3-hydroxy-4-methoxyphenyl)-3-methylbutyric acid can be obtained by converting the substituent group at the 3-position of the benzene ring in the butyric acid derivative to a hydroxyl group. From the compound, further by means of a reaction for converting a carboxyl group into a formyl group, a 3-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl aldehyde can be easily produced, and the aldehyde derivative can be easily changed into a compound, which is excellent as a sweetener with a high potency of sweetness, by a reductive alkylation reaction with aspartame.

  丁酸衍生物可以通过 2-甲氧基苯酚的羟基保护衍生物（其中 2-甲氧基苯酚的羟基以磺酸酯（磺酸盐）的形式受到保护）与 3-甲基巴豆酸在有酸存在的情况下进行反应而方便有效地制备、在有酸存在的情况下，用 3-甲基巴豆酸将丁酸衍生物中苯环 3 位上的取代基转化为羟基，可得到 3-（3-羟基-4-甲氧基苯基）-3-甲基丁酸。再通过将羧基转化为甲酰基的反应，就可以很容易地从该化合物中生成 3-(3-羟基-4-甲氧基苯基)-3-甲基丁醛，然后通过与阿斯巴甜的还原烷基化反应，就可以很容易地将该醛衍生物转化为一种具有高甜度的甜味剂。