3-(3-methyl-4-benzyloxyphenyl)-3-methylbutyl aldehyde | 445437-65-0

• 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-(3-methyl-4-benzyloxyphenyl)-3-methylbutyl aldehyde
• 英文别名: 3-Methyl-3-(3-methyl-4-phenylmethoxyphenyl)butanal
• CAS: 445437-65-0
• 化学式: C₁₉H₂₂O₂
• 分子量: 282.382
• InChiKey: ZUTGKRPLNCRRQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(3-methyl-4-benzyloxyphenyl)-3-methylbutyl aldehyde 以63.2%的产率得到N-[N-[3-(3-methyl-4 hydroxyphenyl)-3-methylbutyl]-L-α-aspartyl]-L-phenylalanine 1-methyl ester
  参考文献：
  名称：

  N-alkylaspartyl dipeptide ester compounds

  摘要：

  本发明提供了N-烷基天冬氨酸二肽酯化合物及其盐，如N-[N-[3-(3-羟基-4-甲氧基苯基)-3-甲基丁基]-L-α-天冬氨酰]-L-苯丙氨酸1-甲酯，与传统产品相比提供了高度的甜味，包含这些新型天冬氨酸二肽酯化合物的组合物和产品以及生产这些新型天冬氨酸二肽酯化合物的方法。

  公开号：

  US20010039357A1

文献信息

• Novel arylpropyl aldehyde derivatives, processes for producing the same, and methods of using the same
  申请人：Ajinomoto Co., Inc.

  公开号：US20030032842A1

  公开（公告）日：2003-02-13

  3-(3-Methyl-4-hydroxyphenyl)-3-methylbutyl aldehyde may be produced from 3-(3-methyl-4-hydroxyphenyl)-3-methylbutyric acid by converting the carboxyl group into a formyl group. N-[N-[3-(3-methyl-4-hydroxyphenyl)-3-methylbutyl]-L-&agr;-aspartyl]-L-phenylalanine 1-methyl ester, which is useful as a sweetener having a high potency of sweetness, can be easily and efficiently prepared on an industrial production from such an aldehyde derivative, via a reductive alkylation reaction with aspartame. Therefore, 3-(3-Methyl-4-hydroxyphenyl)-3-methylbutyl aldehyde is extremely excellent as an intermediate for the production of N-[N-[3-(3-methyl-4-hydroxyphenyl)-3- methylbutyl]-L-&agr;-aspartyl]-L-phenylalanine 1-methyl ester. The above butyric acid derivative is a novel compound, which can be easily produced by subjecting 3-(3-methyl-4-methoxyphenyl)-3-methylbutyric acid obtained by the reaction of 2-methoxytoluene with 3-methylcrotonic acid, to a reaction for converting a methoxy group into a hydroxyl group. The present invention further provides several novel compounds useful as a production intermediate, such as the above aldehyde derivative and the like.

  3-(3-甲基-4-羟基苯基)-3-甲基丁醛可以通过将羧基转化为甲醛基而从3-(3-甲基-4-羟基苯基)-3-甲基丁酸中产生。N-[N-[3-(3-甲基-4-羟基苯基)-3-甲基丁基]-L-α-天冬氨酸]-L-苯丙氨酸1-甲基酯是一种高甜度的甜味剂，可以通过与阿斯巴甜进行还原烷基化反应，从这种醛衍生物中轻松高效地制备出来，因此3-(3-甲基-4-羟基苯基)-3-甲基丁醛作为N-[N-[3-(3-甲基-4-羟基苯基)-3-甲基丁基]-L-α-天冬氨酸]-L-苯丙氨酸1-甲基酯的生产中间体非常出色。上述丁酸衍生物是一种新颖化合物，可以通过将2-甲氧基甲苯与3-甲基巴豆酸反应得到的3-(3-甲基-4-甲氧基苯基)-3-甲基丁酸经过将甲氧基转化为羟基的反应而轻松制备。本发明还提供了几种新颖的化合物，如上述醛衍生物等，用作生产中间体。
• Novel N-alkylaspartyl amide derivative and sweetening agent
  申请人：AJINOMOTO CO. INC

  公开号：US20040071851A1

  公开（公告）日：2004-04-15

  The present invention relates to a novel N-alkylaspartyl amide derivative, a salt form thereof, a sweetening agent containing the same and a sweetened food or drink containing the N-alkylaspartyl amide derivative as an effective ingredient.

  本发明涉及一种新型的N-烷基天冬氨酰胺衍生物及其盐形式，包含该衍生物的甜味剂和含有N-烷基天冬氨酰胺衍生物作为有效成分的甜味食品或饮料。
• Sweetener compositions and uses thereof
  申请人：AJINOMOTO CO. INC

  公开号：US20040105928A1

  公开（公告）日：2004-06-03

  The present invention provides compositions containing one or more aspartyl dipeptide derivatives represented by formulas (1) and/or (2) mixed with another high intensity sweetner, such Aspartame, sugar, sugar alcohol, and oligosaccharide; food, beverages, and/or medicinal products containing these compositions, methods of using the compositions to impart sweetness in food, beverages, and/or medicinal products to impart sweetness or suppress a bitter taste; and methods of making the compositions and products.

  本发明提供了一种含有一个或多个由式(1)和/或式(2)表示的天冬氨酰二肽衍生物与另一种高强度甜味剂混合的组合物；含有这些组合物的食品、饮料和/或药品；使用这些组合物在食品、饮料和/或药品中赋予甜味或抑制苦味的方法；以及制备这些组合物和产品的方法。其中，另一种高强度甜味剂可以是阿斯巴甜、糖、糖醇和寡糖。
• SWEETENER COMPOSITIONS WITH HIGH DEGREE OF SWEETNESS HAVING IMPROVED SWEETNESS, CORRIGENTS AND UTILIZATION THEREOF
  申请人：Ajinomoto Co., Inc.

  公开号：EP1221448A1

  公开（公告）日：2002-07-10

  A sweetener composition with a high intense sweetness having a sweetness quality which is closer to that of sucrose, obtained by blending aspartyl dipeptide ester derivatives which are sweetener components with a high intense sweetness such as N-[N-[3-(3-hydroxy-4-methoxyphenyl) propyl]-L-α-aspartyl]-L-phenylalanine 1-methyl ester, with anther sweetener components with a high intense sweetness such as Aspartame, or at least one of the compounds contained in the group consisting of sugar, sugar alcohol and oligosaccharides so as to strengthen the onset of the taste of said derivatives and weaken the lingering taste, thereby improving the balance of the onset of the taste and the lingering taste, is provided. Further, said aspartyl dipeptide ester derivatives can be used as taste modifiers. By using these taste modifiers, an effect of highly eliminating or repressing a bitter taste can be achieved and maintained, without undesirable effect for the physical properties of compositions such as food and drink and medicines, in particular, viscosity and so on of liquid compositions, or degradation of qualities such as browning during storage. Thus, food and drink and medicines and so on of a preferable taste quality with the improved bitter taste can be provided.

  一种具有高强度甜味的甜味剂组合物，其甜味质量更接近蔗糖的甜味质量，该甜味剂组合物是通过将天冬氨酰二肽酯衍生物与 N-[N-[3-(3-羟基-4-甲氧基苯基)丙基]-L-α-天冬氨酰]-L-苯丙氨酸 1-甲酯等具有高强度甜味的甜味剂成分混合而获得的、本发明还提供了具有高甜度的甜味剂成分，如阿斯巴甜，或至少一种由糖、糖醇和低聚糖组成的组中所含的化合物，以增强所述衍生物的起始味道并减弱余味，从而改善起始味道和余味的平衡。 此外，所述天冬氨酰二肽酯衍生物可用作味道调节剂。通过使用这些味道调节剂，可以达到并保持高度消除或抑制苦味的效果，同时不会对食品、饮料和药品等组合物的物理性质，特别是液体组合物的粘度等产生不良影响，也不会在贮存期间出现褐变等品质退化现象。因此，可以提供具有改善的苦味的优质食品、饮料和药品等。
• SOLID SWEETENER COMPOSITIONS, LIQUID SWEETENER COMPOSITIONS AND UTILIZATION THEREOF
  申请人：Ajinomoto Co., Inc.

  公开号：EP1223175A1

  公开（公告）日：2002-07-17

  Solid compositions of sweetener with a high intense sweetness (including those in the form of solid food) having a sweetness quality with homogeneous dispersion in the whole, which comprise an aspartyl dipeptide ester derivatives such as N-[N-[3-(3-hydroxy-4-methoxyphenyl) propyl] -L-α-aspartyl]-L-phenylalanine 1-methyl ester which is a sweetener with a high intense sweetness (one kind or more; which may be in the salt form), and a filler (including a bulking agent, a carrier and so on), particularly at least one of the compounds contained in the group consisting of sugar , sugar alcohol, oligosaccharide and polysaccharide, and are produced by a process involving the step of mixing at least said derivative(s) in the form of solution during manufacture, are provided. Solutions or suspensions with a high intense sweetness, stably over a long period of time, which are obtained by mixing at least one kind of said aspartyl dipeptide ester derivative having a high intense sweetness in an edible medium, preferably together with at least one of the compounds contained in the group consisting of sugar, sugar alcohol and oligosaccharide as a stabilizer, and homogeneously dissolving or suspending, are provided. These solutions and so on are useful as sweeteners, and for imparting sweetness to food and drink which are added sweetness or the product in need of sweetness. Liquid compositions of sweetener with a high intense sweetness, which are stable over a long period of time, excellent in solubility and workability without undergoing scattering, can be obtained.

  高甜度甜味剂的固体组合物（包括固体食品形式的组合物），其甜度质量在整体上均匀分散，其中包括天冬氨酰二肽酯衍生物，如 N-[N-[3-(3-羟基-4-甲氧基苯基)丙基]-L-α-天冬氨酰]-L-苯丙氨酸 1-甲酯，它是一种高甜度甜味剂（一种或多种；本发明提供了一种具有高甜度的甜味剂（一种或多种；可以是盐形式）和一种填料（包括膨松剂、载体等），特别是由糖、糖醇、低聚糖和多糖组成的组中所含的至少一种化合物，其生产工艺包括在制造过程中以溶液形式混合至少上述衍生物的步骤。 本发明还提供了具有高甜度、长期稳定的溶液或悬浮液，这些溶液或悬浮液是通过将至少一种具有高甜度的上述天冬氨酰二肽酯衍生物与糖类、糖醇和寡糖组成的化合物组中的至少一种作为稳定剂混合在可食用介质中，并均匀溶解或悬浮而得到的。这些溶液等可用作甜味剂，也可用于向添加甜味剂的食品和饮料或需要甜味剂的产品中添加甜味剂。可以获得具有高强度甜味的甜味剂液体组合物，这种组合物在长时间内保持稳定，溶解性和加工性极佳，不会发生分散。