N-[N-[3-(2-hydroxy-4-methoxyphenyl) propyl]-L-α-aspartyl]-L-phenylalanine 1-methyl ester | 245650-26-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[N-[3-(2-hydroxy-4-methoxyphenyl) propyl]-L-α-aspartyl]-L-phenylalanine 1-methyl ester
• 英文别名: (3S)-3-[3-(2-hydroxy-4-methoxyphenyl)propylamino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
• CAS: 245650-26-4
• 化学式: C₂₄H₃₀N₂O₇
• 分子量: 458.511
• InChiKey: LNIKADTXCRSOCY-PMACEKPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  33
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  134
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-benzyloxy-4-methoxycinnamaldehyde 以54.4%的产率得到N-[N-[3-(2-hydroxy-4-methoxyphenyl) propyl]-L-α-aspartyl]-L-phenylalanine 1-methyl ester
  参考文献：
  名称：

  EP1221448

  摘要：

  公开号：

文献信息

• Process for production of aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for production thereof
  申请人：AJINOMOTO CO. INC

  公开号：US20020133037A1

  公开（公告）日：2002-09-19

  The present invention relates to a method of manufacturing aspartyl dipeptide ester compounds, which can be used as sweeteners, and aldehydes that can be used in the manufacturing processes.

  本发明涉及一种制造天冬氨酰二肽酯化合物的方法，该方法可用作甜味剂，并且还涉及可以在制造过程中使用的醛。
• 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。
• Process for producing aspartame derivatives, process for purifying aspartame derivatives, production intermediates, and process for producing production intermediates
  申请人：AJINOMOTO CO., INC.

  公开号：US20020127320A1

  公开（公告）日：2002-09-12

  N-[N-[3-(2-hydroxy-substituted phenyl)propyl]-L-&agr;-aspartyl]-L-phenylalanine 1-methyl ester derivatives, which are useful as sweeteners, may be conveniently produced by subjecting a 2-hydroxychroman derivative having various substituents on the benzene ring and aspartame to a reductive alkylation reaction. These compounds may be purified by subjecting such a derivative containing one or more impurities to a crystallization step to crystallize the same. Further, there are provided a process for producing dialkoxychroman derivatives useful as intermediates for the production of such aspartame derivatives in the above process, and novel dialkoxychroman derivatives thus produced, which are excellent as the production intermediate.

  这段文字的含义是： N-[N-3-(2-羟基取代苯基)丙基]-L-α-天冬氨酸-L-苯丙氨酸1-甲基酯衍生物可用作甜味剂，可通过将具有苯环上不同取代基的2-羟基色酮衍生物和阿斯巴甜进行还原烷基化反应来方便地制备。这些化合物可以通过将含有一种或多种杂质的衍生物经过结晶步骤结晶来纯化。此外，还提供了一种用于生产上述过程中的阿斯巴甜衍生物的中间体的二烷氧基色酮衍生物的生产过程，以及由此产生的新型二烷氧基色酮衍生物，其作为生产中间体非常优秀。
• ASPARTYL DIPEPTIDE ESTER DERIVATIVES AND SWEETENERS
  申请人：Ajinomoto Co., Inc.

  公开号：EP1070726A1

  公开（公告）日：2001-01-24

  Novel aspartyl dipeptide ester derivatives (including salts thereof) having an excellent sweetening effect and usable as sweeteners such as N-[N-[3-(3-methyl-4-hydroxyphenyl)propyl]-L-α-aspartyl]-L-phenylalanine 1-methyl ester and N-[N-[3-(3-hydroxy-4-methoxyphenyl)propyl]-L-α-aspartyl]-L-phenylalanine 1-methyl ester, and excellent sweeteners,etc. containing these novel derivatives are provided. A low-calory sweetener having especially an excellent sweetening potency can be provided in comparison with conventional ones.

  新型天冬氨酰二肽酯衍生物（包括其盐）具有极佳的甜味效果，可用作甜味剂，如 N-[N-[3-(3-甲基-4-羟基苯基)丙基]-L-α-天冬氨酰]-L-苯丙氨酸 1-甲酯和 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，以及极佳的甜味剂等。提供了含有这些新型衍生物的优良甜味剂等。 与传统甜味剂相比，这种低热量甜味剂的甜味效果尤其出色。
• PROCESSES FOR PRODUCING AND PURIFYING ASPARTAME DERIVATIVES AND PROCESS FOR PRODUCING PRODUCTION INTERMEDIATES
  申请人：Ajinomoto Co., Inc.

  公开号：EP1227104A1

  公开（公告）日：2002-07-31

  There are provided a process for producing an N-[N-[3-(2-hydroxy-substituted phenyl)propyl]-L-α-aspartyl]-L-phenylalanine 1-methyl ester derivative, which is useful as a sweetener, by subjecting a 2-hydroxychroman derivative having various substituents in a benzene ring and an aspartame to a reductive alkylation reaction, and a process for purifying the same by subjecting such derivative containing impurity(ies) to a crystallization step to crystallize the same. Further, there are provided a process for producing a dialkoxychroman derivative useful as a production intermediate for the above aspartame derivative in the above process, and novel dialkoxychroman derivatives thus produced, and excellent as the production intermediate.

  提供了一种生产 N-[N-[3-(2-羟基取代苯基)丙基]-L-α-天冬氨酰]-L-苯丙氨酸 1-甲酯衍生物的工艺，该衍生物可用作甜味剂、将苯环上具有各种取代基的 2-羟基苯并二氢吡喃衍生物和阿斯巴甜进行还原烷基化反应，以及将含有杂质的该衍生物进行结晶步骤使其结晶，从而提纯该衍生物的工艺。 此外，还提供了一种生产二烷氧基苯并二氢吡喃衍生物的工艺，在上述工艺中，该衍生物可作为上述天冬酰胺衍生物的生产中间体，还提供了由此生产的新型二烷氧基苯并二氢吡喃衍生物，以及作为生产中间体的优良衍生物。