2-(3-hydroxy-4-methoxybenzoyl)benzoic acid | 190906-37-7

• 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: 2-(3-hydroxy-4-methoxybenzoyl)benzoic acid
• CAS: 190906-37-7
• 化学式: C₁₅H₁₂O₅
• 分子量: 272.257
• InChiKey: OZEWZNZJRIRASB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 2-(3-hydroxy-4-methoxybenzoyl)benzoic acid 在 吡啶 作用下， 生成 2-(3-Acetoxy-4-methoxy-benzoyl)-benzoic acid
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of Sweet 2-Benzoylbenzoic Acid Derivatives

  摘要：

  Twenty-four analogues of the sweet compound 2-(4-methoxybenzoyl)benzoic acid 1 were synthesized and tasted. The structure-sweet taste relationships were studied by means of principal component analysis and by comparison with the existing sweet receptor models. Three possible glucophores were identified, which could correspond to the sites B, E1, and E2 of the Tinti-Nofre model. Some similarities between this class of compounds and isovanillic sweeteners were found.

  DOI：

  10.1021/jf960755i
• 作为产物：
  描述：

  木榴油 在 吡啶 、 sodium hydroxide 、 三氯化铝 作用下， 反应 22.5h， 生成 2-(3-hydroxy-4-methoxybenzoyl)benzoic acid
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of Sweet 2-Benzoylbenzoic Acid Derivatives

  摘要：

  Twenty-four analogues of the sweet compound 2-(4-methoxybenzoyl)benzoic acid 1 were synthesized and tasted. The structure-sweet taste relationships were studied by means of principal component analysis and by comparison with the existing sweet receptor models. Three possible glucophores were identified, which could correspond to the sites B, E1, and E2 of the Tinti-Nofre model. Some similarities between this class of compounds and isovanillic sweeteners were found.

  DOI：

  10.1021/jf960755i

文献信息

• Novel intermediate for sweetener with high sweetness and process forproducing the same
  申请人：AJINOMOTO CO., INC.

  公开号：US20030216592A1

  公开（公告）日：2003-11-20

  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。
• 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。
• 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。
• LIMITED PLAY DATA STORAGE MEDIA AND OF METHODS MANUFACTURE
  申请人：GENERAL ELECTRIC COMPANY

  公开号：EP1654336A1

  公开（公告）日：2006-05-10
• Coating formulations for limited play data storage media
  申请人：——

  公开号：US20040014859A1

  公开（公告）日：2004-01-22

  A coating formulation is provided which comprises at least one polyhydroxy compound; at least one carrier; and at least one reactive material.