N-Acetyl-DL-phenylalanine beta-naphthyl ester

Base Information

• Chemical Name: N-Acetyl-DL-phenylalanine beta-naphthyl ester
• CAS No.: 20874-31-1
• Molecular Formula: C₂₁H₁₉NO₃
• Molecular Weight: 333.387
• European Community (EC) Number: 686-357-9
• NSC Number: 87855
• DSSTox Substance ID: DTXSID301274184
• Wikidata: Q27107459
• Metabolomics Workbench ID: 53307
• ChEMBL ID: CHEMBL1900052
• Mol file: 20874-31-1.mol

Synonyms:APNE;N-acetyl-DL-phenylalanine beta-naphthyl ester;N-acetylphenylalanine beta-naphthyl ester

Chemical Property of N-Acetyl-DL-phenylalanine beta-naphthyl ester

Chemical Property:

• Vapor Pressure: 6.93E-14mmHg at 25°C
• Refractive Index: 1.618
• Boiling Point: 589.8 °C at 760 mmHg
• Flash Point: 310.5 °C
• PSA: 55.40000
• Density: 1.2 g/cm³
• LogP: 3.88350
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 333.13649347
• Heavy Atom Count: 25
• Complexity: 458

Purity/Quality:

98%min ^*data from raw suppliers

Acetyl-DL-phenylalanineβ-NaphthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC3=CC=CC=C3C=C2
• Uses: Acetyl-DL-phenylalanine β-Naphthyl Ester is an aromatic amino acid ester, which functions as a chromogenic substrate for chymotrypsin and microbial serine proteases such as subtilisin.

Technology Process of N-Acetyl-DL-phenylalanine beta-naphthyl ester

There total 1 articles about N-Acetyl-DL-phenylalanine beta-naphthyl ester 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:

oxalyl dichloride (79-37-8) + (R,S)-N-acetyl phenylalanine (2901-75-9) → N-acetyl-DL-phenylalanine-[2]naphthyl ester (20874-31-1)

Guidance literature:

With 1,4-dioxane; Erwaermen der Reaktionsloesung mit <2>Naphthol und Pyridin in Benzol;

DOI:10.1021/ja01149a053

upstream raw materials:

oxalyl dichloride

(R,S)-N-acetyl phenylalanine