N-neohexyl-L-aspartic anhydride hydrochloride | 275799-07-0

• 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-neohexyl-L-aspartic anhydride hydrochloride
• 英文别名: (3S)-3-(3,3-dimethylbutylamino)oxolane-2,5-dione;hydrochloride
• CAS: 275799-07-0
• 化学式: C₁₀H₁₇NO₃*ClH
• 分子量: 235.711
• InChiKey: FYJBIJQDYQPSAZ-FJXQXJEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.28
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  55.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-neohexyl-L-aspartic anhydride hydrochloride 、 L-苯丙氨酸甲酯 以 乙酸乙酯 、 甲苯 为溶剂， 生成 N-[N-(3,3-dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester 、 N-[N-(3,3-dimethylbutyl)-L-β-aspartyl]-L-phenylalanine 1-methyl ester
  参考文献：
  名称：

  N-3, 3-dimethylbutyl-L-aspartic acid and esters thereof, the process of

  摘要：

  本发明涉及使用肽偶联方法化学合成N-[N-(3,3-二甲基丁基)-L-α-天冬氨酸]-L-苯丙氨酸1-甲酯。偶联反应通过新型N-新己基-L-天冬氨酸的活化衍生物与L-苯丙氨酸或L-苯丙氨酸甲酯缩合进行，或通过N-新己基-L-天冬氨酸与L-苯丙氨酸或L-苯丙氨酸甲酯的酶偶联反应进行。本发明还涉及新型N-(3,3-二甲基丁基)-L-天冬氨酸及其衍生物的制备。N-新己基-L-天冬氨酸的活化衍生物可以是酸酐、混合酸酐、活性酯或其中间活化衍生物。

  公开号：

  US06077962A1

文献信息

• N-3, 3-DIMETHYLBUTYL-L-ASPARTIC ACID AND ESTERS THEREOF, THE PROCESS OF PREPARING THE SAME, AND THE PROCESS FOR PREPARING N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL)-L-PHENYLALANINE-1-METHYLESTER THEREFROM
  申请人：The NutraSweet Company

  公开号：EP1140795A1

  公开（公告）日：2001-10-10
• US6077962A
  申请人：——

  公开号：US6077962A

  公开（公告）日：2000-06-20
• [EN] N-3, 3-DIMETHYLBUTYL-L-ASPARTIC ACID AND ESTERS THEREOF, THE PROCESS OF PREPARING THE SAME, AND THE PROCESS FOR PREPARING N-[N-(3, 3-DIMENTHYLBUTYL)-L- alpha -ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER THEREFROM<br/>[FR] ACIDE N-3, 3-DIMETHYLBUTYL-L-ASPARTIQUE ET SES ESTERS, SON PROCESSUS DE PREPARATION, ET PROCESSUS DE PREPARATION DE N-[N-(3, 3-DIMETHYLBUTYL)-L- ALPHA -ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER A PARTIR DE CET ACIDE
  申请人：NUTRASWEET CO

  公开号：WO2000039075A1

  公开（公告）日：2000-07-06

  This invention relates to the chemical synthesis of N-[N-(3,3-dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester using peptide coupling methods. The coupling reaction is conducted by condensation of an activated derivative of novel N-neohexyl-L-aspartic acid with L-phenylalaline or L-phenylalanine methyl ester or by enzymatic coupling of N-neohexyl-L-aspartic acid with L-phenylalaline or L-phenylalanine methyl ester. This invention also relates to novel N- (3,3- dimethylbutyl)-L-aspartic acid, derivatives thereof and the preparation thereof. The activated derivative of N-neohexyl-L-aspartic acid may be an anhydride, mixed anhydride, active ester or an intermediate activated derivative thereof.
• N-3, 3-dimethylbutyl-L-aspartic acid and esters thereof, the process of
  申请人：The NutraSweet Company

  公开号：US06077962A1

  公开（公告）日：2000-06-20

  This invention relates to the chemical synthesis of N-[N-(3,3-dimethylbutyl)-L-.alpha.-aspartyl]-L-phenylalanine 1-methyl ester using peptide coupling methods. The coupling reaction is conducted by condensation of an activated derivative of novel N-neohexyl-L-aspartic acid with L-phenylalanine or L-phenylalanine methyl ester or by enzymatic coupling of N-neohexyl-L-aspartic acid with L-phenylalanine or L-phenylalanine methyl ester. This invention also relates to novel N-(3,3-dimethylbutyl)-L-aspartic acid, derivatives thereof and the preparation thereof. The activated derivative of N-neohexyl-L-aspartic acid may be an anhydride, mixed anhydride, active ester or an intermediate activated derivative thereof.

  本发明涉及使用肽偶联方法化学合成N-[N-(3,3-二甲基丁基)-L-α-天冬氨酸]-L-苯丙氨酸1-甲酯。偶联反应通过新型N-新己基-L-天冬氨酸的活化衍生物与L-苯丙氨酸或L-苯丙氨酸甲酯缩合进行，或通过N-新己基-L-天冬氨酸与L-苯丙氨酸或L-苯丙氨酸甲酯的酶偶联反应进行。本发明还涉及新型N-(3,3-二甲基丁基)-L-天冬氨酸及其衍生物的制备。N-新己基-L-天冬氨酸的活化衍生物可以是酸酐、混合酸酐、活性酯或其中间活化衍生物。