L-Aspartic acid, N-(1-O-((3-beta,20-beta,29(S))-29-((3-methoxy-1-(methoxycarbonyl)-3-oxopropyl)amino)-11,29-dioxoolean-12-en-3-yl)-2-O-(N-(3-methoxy-1-(methoxycarbonyl)-3-oxopropyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronoyl)-, dimethyl ester, (S)-

Base Information

• Chemical Name: L-Aspartic acid, N-(1-O-((3-beta,20-beta,29(S))-29-((3-methoxy-1-(methoxycarbonyl)-3-oxopropyl)amino)-11,29-dioxoolean-12-en-3-yl)-2-O-(N-(3-methoxy-1-(methoxycarbonyl)-3-oxopropyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronoyl)-, dimethyl ester, (S)-
• CAS No.: 171259-65-7
• Molecular Formula: C₆₀H₈₉N₃O₂₅
• Molecular Weight: 1252.37
• Mol file: 171259-65-7.mol

Synonyms:171259-65-7;L-Aspartic acid, N-(1-O-((3-beta,20-beta,29(S))-29-((3-methoxy-1-(methoxycarbonyl)-3-oxopropyl)amino)-11,29-dioxoolean-12-en-3-yl)-2-O-(N-(3-methoxy-1-(methoxycarbonyl)-3-oxopropyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronoyl)-, dimethyl ester, (S)-;C60H89N3O25;C60-H89-N3-O25;LS-22119

Chemical Property of L-Aspartic acid, N-(1-O-((3-beta,20-beta,29(S))-29-((3-methoxy-1-(methoxycarbonyl)-3-oxopropyl)amino)-11,29-dioxoolean-12-en-3-yl)-2-O-(N-(3-methoxy-1-(methoxycarbonyl)-3-oxopropyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronoyl)-, dimethyl ester, (S)-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1220.7°Cat760mmHg
• Flash Point: 692.1°C
• Density: 1.38g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 25
• Exact Mass: 1251.57851533
• Heavy Atom Count: 88
• Complexity: 2740

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)NC(CC(=O)OC)C(=O)OC)O)O)OC5C(C(C(C(O5)C(=O)NC(CC(=O)OC)C(=O)OC)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)NC(CC(=O)OC)C(=O)OC)C)C)C)C
• Isomeric SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)N[C@@H](CC(=O)OC)C(=O)OC)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)N[C@@H](CC(=O)OC)C(=O)OC)O)O)O)C)(C)C(=O)N[C@@H](CC(=O)OC)C(=O)OC

Technology Process of L-Aspartic acid, N-(1-O-((3-beta,20-beta,29(S))-29-((3-methoxy-1-(methoxycarbonyl)-3-oxopropyl)amino)-11,29-dioxoolean-12-en-3-yl)-2-O-(N-(3-methoxy-1-(methoxycarbonyl)-3-oxopropyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronoyl)-, dimethyl ester, (S)-

There total 2 articles about L-Aspartic acid, N-(1-O-((3-beta,20-beta,29(S))-29-((3-methoxy-1-(methoxycarbonyl)-3-oxopropyl)amino)-11,29-dioxoolean-12-en-3-yl)-2-O-(N-(3-methoxy-1-(methoxycarbonyl)-3-oxopropyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronoyl)-, dimethyl ester, (S)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

β-Glycyrrhicic acid (1405-86-3,83896-44-0,103000-77-7,119479-05-9,142394-43-2) → 1-O-<(3β,20β)-11,30-dioxo-30-(N-L-aspartic acid dimethyl ester)-olean-12-en-3-yl>-2-O-<β-D-6-oxo-6-desoxy-6-(N-L-aspartia acid dimethyl ester)-glycopyranosyl>-α-D-6-oxo-6-desoxy-6-(N-L-aspartic acid dimethyl ester)-glucopyranoside (171259-65-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N'-dicyclohexylcarbodiimide / tetrahydrofuran / a) from 0 to 5 deg C, 3 h, b) from 20 to 22 deg C, 6 h

2: triethylamine / dioxane; dimethylformamide / 24 h / Ambient temperature

With triethylamine; dicyclohexyl-carbodiimide; In tetrahydrofuran; 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1007/BF02219463

Reference yield:

dimethyl L-aspartate hydrochloride (32213-95-9) + C54H71N3O22 → 1-O-<(3β,20β)-11,30-dioxo-30-(N-L-aspartic acid dimethyl ester)-olean-12-en-3-yl>-2-O-<β-D-6-oxo-6-desoxy-6-(N-L-aspartia acid dimethyl ester)-glycopyranosyl>-α-D-6-oxo-6-desoxy-6-(N-L-aspartic acid dimethyl ester)-glucopyranoside (171259-65-7)

Guidance literature:

With triethylamine; In 1,4-dioxane; N,N-dimethyl-formamide; for 24h; Yield given; Ambient temperature;

DOI:10.1007/BF02219463

upstream raw materials:

dimethyl L-aspartate hydrochloride

β-Glycyrrhicic acid