l-Isoasparagine

Base Information

• Chemical Name: l-Isoasparagine
• CAS No.: 28057-52-5
• Molecular Formula: C4H8N2O3
• Molecular Weight: 132.119
• Hs Code.: 2924199090
• UNII: L9ANT46A26
• Nikkaji Number: J88.541J
• Wikidata: Q27109382
• Metabolomics Workbench ID: 53835
• Mol file: 28057-52-5.mol

Synonyms:28057-52-5;l-Isoasparagine;H-Asp-NH2;L-aspartic acid 1-amide;Aspartic acid amide;L-alpha-asparagine;(3S)-3,4-diamino-4-oxobutanoic acid;Butanoic acid, 3,4-diamino-4-oxo-, (3S)-;L-aspartic 1-amide;Succinamic acid, 3-amino-, L-;Aspartic acid alpha-amide;(S)-3,4-Diamino-4-oxobutanoic acid;H-ASP-NH2 H2O;UNII-L9ANT46A26;L9ANT46A26;Butanoic acid, 3,4-diamino-4-oxo-, (S)-;(3S)-3-amino-3-carbamoylpropanoic acid;(3S)-4-Amino-3-azaniumyl-4-oxobutanoate;isoaspargine;3,4-Diamino-4-oxobutanoic acid #;L-ASP-NH2;L-.ALPHA.-ASPARAGINE;SCHEMBL333107;CHEBI:21248;ASPARTIC ACID .ALPHA.-AMIDE;(S)-3,4-Diamino-4-oxobutanoicacid;MFCD00056118;(S)-3,4-Diamino-4-oxobutyric acid;AKOS006273537;FD21181;AS-56487;Butanoic acid,3,4-diamino-4-oxo-,(3S)-;EN300-199899;Q27109382;Z1198149443

Chemical Property of l-Isoasparagine

Chemical Property:

• Boiling Point: 404.4 °C at 760 mmHg
• PKA: pK1:2.97(＋1);pK2:8.02(0) (25°C)
• Flash Point: 198.4 °C
• PSA: 106.41000
• Density: 1.404 g/cm³
• LogP: -0.32570
• Storage Temp.: −20°C
• XLogP3: -4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 132.05349212
• Heavy Atom Count: 9
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

(S)-3,4-Diamino-4-oxobutanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)N)N)C(=O)O
• Isomeric SMILES: C([C@@H](C(=O)N)N)C(=O)O

Technology Process of l-Isoasparagine

There total 1 articles about l-Isoasparagine 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:

ammonia (7664-41-7) + (S)-3-amino-dihydro-furan-2,5-dione; hydrobromide (5487-35-4) → L-isoasparagine (28057-52-5) + L-asparagine (70-47-3,28088-48-4,7006-34-0)

Guidance literature:

DOI:10.1007/BF00629511

Reference yield:

L-isoasparagine (28057-52-5) + 4-methoxybenzyloxycarbonyl azide (25474-85-5) → p-Methoxy-carbobenzoxy-L-isoasparagin (31883-85-9)

Guidance literature:

With magnesium oxide; In 1,4-dioxane; water;

Reference yield:

L-isoasparagine (28057-52-5) + 4-nitrophenol acetate (830-03-5) → Ac-Asp-NH2 (60803-67-0)

Guidance literature:

upstream raw materials:

ammonia

(S)-3-amino-dihydro-furan-2,5-dione; hydrobromide

Downstream raw materials:

N-Benzoyl-isoasparagin

(S)-4-amino-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid

p-Methoxy-carbobenzoxy-L-isoasparagin

Ac-Asp-NH2