Aspartylalanine

Base Information

• Chemical Name: Aspartylalanine
• CAS No.: 13433-02-8
• Molecular Formula: C7H12N2O5
• Molecular Weight: 204.183
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID10928569
• Nikkaji Number: J81.614K
• Wikidata: Q27144144
• Metabolomics Workbench ID: 78716
• ChEMBL ID: CHEMBL17503
• Mol file: 13433-02-8.mol

Synonyms:alpha-Asp-Ala;alpha-aspartylalanine

Chemical Property of Aspartylalanine

Chemical Property:

• Vapor Pressure: 2.47E-13mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 545.3 °C at 760 mmHg
• Flash Point: 283.6 °C
• PSA: 129.72000
• Density: 1.42 g/cm³
• LogP: -0.53110
• Storage Temp.: −20°C
• XLogP3: -4.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 204.07462149
• Heavy Atom Count: 14
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

H-Asp-Ala-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Aspartylalanine

There total 3 articles about Aspartylalanine 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:

Z(OMe)-Asp(OBzl)-Ala-OBzl (79072-78-9) → α-L-aspartyl-L-alanine (13433-02-8) + H-Asc-Ala-OH

Guidance literature:

With methanesulfonic acid; In various solvent(s); at 24 ℃; for 1h;

DOI:10.1021/ja00409a040

Reference yield:

N-Benzyloxycarbonyl-β-benzylaspartylalaninbenzylester (40470-05-1) → α-L-aspartyl-L-alanine (13433-02-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; acetic acid;

Reference yield:

→ α-L-aspartyl-L-alanine (13433-02-8)

Guidance literature:

DOI:10.1093/oxfordjournals.jbchem.a132166

upstream raw materials:

N-Benzyloxycarbonyl-β-benzylaspartylalaninbenzylester

Z(OMe)-Asp(OBzl)-Ala-OBzl

Downstream raw materials:

L-alanin

L-Aspartic acid