N-[N-[3-(3,4-methylenedioxyphenyl)-3-methylbutyl]-L-α-aspartyl]-L-phenylalanine-1-methyl ester | 262282-94-0

• 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-(3,4-methylenedioxyphenyl)-3-methylbutyl]-L-α-aspartyl]-L-phenylalanine-1-methyl ester
• 英文别名: (3S)-3-[[3-(1,3-benzodioxol-5-yl)-3-methylbutyl]amino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
• CAS: 262282-94-0
• 化学式: C₂₆H₃₂N₂O₇
• 分子量: 484.549
• InChiKey: OLSOFFHCRAEDSJ-PMACEKPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  35
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  123
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• N-alkylaspartyl dipeptide ester compounds
  申请人：AJINOMOTO CO., INC.

  公开号：US20010039357A1

  公开（公告）日：2001-11-08

  The present invention provides N-alkylaspartyl dipeptideester compounds and salts thereof, such as N-[N-[3-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl]-L-&agr;-aspartyl]-L-phenylalanine 1-methyl ester, which provide high degrees of sweetness in comparison to conventional products, compositions and products containing the novel aspartyl dipeptide ester compounds and method of producing the novel aspartyl dipeptide ester compounds.

  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。
• Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof
  申请人：Ajinomoto Co., Inc.

  公开号：US20040230073A1

  公开（公告）日：2004-11-18

  The present invention relates to a method of manufacturing aspartyl dipeptide ester compounds, which can be used as sweeteners.

  本发明涉及一种制造天冬氨酸二肽酯化合物的方法，该化合物可用作甜味剂。
• PROCESS FOR PRODUCING ASPARTAME DERIVATIVE, CRYSTALS THEREOF, NOVEL PRODUCTION INTERMEDIATES THEREFOR AND PROCESS FOR PRODUCING THE INTERMEDIATE
  申请人：Ajinomoto Co., Inc.

  公开号：EP1219633A1

  公开（公告）日：2002-07-03

  3-(3-Hydroxy-4-methoxyphenyl)-3-methylbutylaldehyde is produced by subjecting 3-(3-hydroxy-4-methoxyphenyl)-3-methylbutyric acid to a reaction for converting a carboxyl group into a formyl group, whereby the carboxyl group in the butyric acid derivative is converted to a formyl group. Such 3-(3-hydroxy-4-methoxyphenyl)-3-methylbutyric acid can be obtained by reacting 2-halogenoanisole with 3-methylcrotonic acid to produce 3-(3-halogeno-4-methoxyphenyl)-3-methylbutyric acid, and converting the halogen atom in the thus produced butyric acid derivative into a hydroxyl group. N-[N-[3-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl]-L-α-aspartyl]-L-phenylalanine 1-methyl ester useful as a sweetener having a high degree of sweetness can be easily and efficiently derived on an industrial scale from the thus obtained aldehyde derivative in the reductive alkylation reaction with aspartame. Therefore, the aldehyde derivative is highly excellent as an intermediate for the production of the sweetener.

  3-(3-羟基-4-甲氧基苯基)-3-甲基丁醛是通过将 3-(3-羟基-4-甲氧基苯基)-3-甲基丁酸进行羧基转化为甲酰基的反应，从而将丁酸衍生物中的羧基转化为甲酰基而制得的。这种 3-(3-羟基-4-甲氧基苯基)-3-甲基丁酸可通过 2-卤代苯甲醚与 3-甲基巴豆酸反应生成 3-(3-卤代-4-甲氧基苯基)-3-甲基丁酸，并将由此生成的丁酸衍生物中的卤原子转化为羟基而获得。 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-甲酯作为一种具有高甜度的甜味剂，可以通过与阿斯巴甜进行还原烷基化反应，从由此获得的醛衍生物中轻松高效地工业化生产。因此，醛衍生物作为生产甜味剂的中间体是非常出色的。
• N-ALKYLASPARTYLDIPEPTIDE ESTER DERIVATIVES AND SWEETENERS
  申请人：Ajinomoto Co., Inc.

  公开号：EP1114828B1

  公开（公告）日：2008-03-12
• US7238830B2
  申请人：——

  公开号：US7238830B2

  公开（公告）日：2007-07-03