3-(2-Chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole

Base Information

• Chemical Name: 3-(2-Chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
• CAS No.: 5686-39-5
• Molecular Formula: C16H13ClN2O3
• Molecular Weight: 316.739
• DSSTox Substance ID: DTXSID20357785
• Wikidata: Q82137885

Synonyms:3-(2-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole;5686-39-5;Oprea1_294870;DTXSID20357785;STK115375;AKOS000641271;CCG-112298;SR-01000496684;SR-01000496684-1

Chemical Property of 3-(2-Chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole

Chemical Property:

• Vapor Pressure: 2.22E-09mmHg at 25°C
• Boiling Point: 493°Cat760mmHg
• Flash Point: 251.9°C
• Density: 1.294g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 316.0614700
• Heavy Atom Count: 22
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)OCC2=NC(=NO2)C3=CC=CC=C3Cl

Technology Process of 3-(2-Chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole

There total 2 articles about 3-(2-Chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole 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:

N-benzyloxycarbonyl-L-alanyl-L-alanine ethyl ester (5673-69-8) → Ac-Ala-Ala-OEt (5686-39-5)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen / 10 percent Pd/C / dimethylformamide

2: pyridine / 1 h / 0 °C

With pyridine; hydrogen; palladium on activated charcoal; In N,N-dimethyl-formamide;

DOI:10.1039/f19827801641

Reference yield:

acetic anhydride (108-24-7) + (S)-2-((S)-2-Amino-propionylamino)-propionic acid ethyl ester; compound with toluene-4-sulfonic acid → Ac-Ala-Ala-OEt (5686-39-5)

Guidance literature:

With pyridine; at 0 ℃; for 1h; Yield given;

DOI:10.1039/f19827801641

Reference yield:

Ac-Ala-Ala-OEt (5686-39-5) → N-acetyl-L-alanyl-L-alaninamide (30802-37-0)

Guidance literature:

With ammonia; In ethanol; at 20 ℃; for 24h;

DOI:10.1039/f19827801641

upstream raw materials:

acetic anhydride

N-benzyloxycarbonyl-L-alanyl-L-alanine ethyl ester

Downstream raw materials:

N-acetyl-L-alanyl-L-alaninamide

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