HRID1182393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76335

3,3-Dimethylbutyraldehyde

C6H12O

HCID104748

Sulfurous acid, ion(1-)

HO3S-

结构：COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C

HCID9810996

Neotame

C20H30N2O5

PRODUCTS

生成物

结构：COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O

HCID134601

Aspartame

C14H18N2O5

HCID9810996

Neotame

C20H30N2O5

PROCEDURE

实验过程

In a second embodiment of the present invention, neotame is synthesized by first hydrolyzing a bisulfite adduct of 3,3-dimethylbutyraldehyde with a base in a solvent or a mixture of solvents and then adding aspartame under hydrogenation conditions with a catalyst to produce neotame.

WORKUP

后处理

additiona mixture of solvents

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0685e0a65b59469ea9acb5675020bba2
来源数据集: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07288670B2
来源说明: uspto-grants-2007_10

反应 SMILES

[CH3:1][C:2]([CH2:5][CH2:6][NH:7][C@H:8]([C:13]([NH:15][C@H:16]([C:24]([O:26][CH3:27])=[O:25])[CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)=[O:14])[CH2:9][C:10]([OH:12])=[O:11])([CH3:4])[CH3:3].S(=O)(O)[O-].CC(C)(C)CC=O>>[CH3:27][O:26][C:24]([C@@H:16]([NH:15][C:13]([C@@H:8]([NH2:7])[CH2:9][C:10]([OH:12])=[O:11])=[O:14])[CH2:17][C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1)=[O:25].[CH3:4][C:2]([CH2:5][CH2:6][NH:7][C@H:8]([C:13]([NH:15][C@H:16]([C:24]([O:26][CH3:27])=[O:25])[CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)=[O:14])[CH2:9][C:10]([OH:12])=[O:11])([CH3:1])[CH3:3]