Asp-tyr

Base Information

• Chemical Name: Asp-tyr
• CAS No.: 22840-03-5
• Molecular Formula: C13H16 N2 O6
• Molecular Weight: 296.28
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20177389
• Nikkaji Number: J861.377J
• Wikidata: Q27140540
• Metabolomics Workbench ID: 78734
• ChEMBL ID: CHEMBL171132
• Mol file: 22840-03-5.mol

Synonyms:Asp-Tyr;aspartyltyrosine

Chemical Property of Asp-tyr

Chemical Property:

• Vapor Pressure: 4.93E-19mmHg at 25°C
• Boiling Point: 673°Cat760mmHg
• Flash Point: 360.8°C
• PSA: 149.95000
• Density: 1.46g/cm³
• LogP: 0.39730
• Storage Temp.: -15°C
• XLogP3: -4.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 296.10083623
• Heavy Atom Count: 21
• Complexity: 392

Purity/Quality:

99%, ^*data from raw suppliers

Cholecystokinin Octapeptide (1-2) (desulfated) H-Asp-Tyr-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CC(=O)O)N)O
• Isomeric SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N)O

Technology Process of Asp-tyr

There total 3 articles about Asp-tyr 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:

L-tyrosine benzyl ester (42406-77-9) → Asp-Tyr-OH (22840-03-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethyl acetate

2: H₂, AcOH / Pd

With hydrogen; acetic acid; palladium; In ethyl acetate;

DOI:10.1021/ja01038a046

Reference yield:

N-(O-benzyl-N-benzyloxycarbonyl-L-α-aspartyl)-L-tyrosine benzyl ester (23124-24-5) → Asp-Tyr-OH (22840-03-5)

Guidance literature:

With methanol; palladium; acetic acid; Hydrogenolyse;

Reference yield:

N-(N-benzyloxycarbonyl-L-α-aspartyl)-L-tyrosine → Asp-Tyr-OH (22840-03-5)

Guidance literature:

With methanol; palladium; Hydrogenolyse;

DOI:10.1039/jr9520000024

upstream raw materials:

N-(O-benzyl-N-benzyloxycarbonyl-L-α-aspartyl)-L-tyrosine benzyl ester

L-tyrosine benzyl ester

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