4-methoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

Base Information

• Chemical Name: 4-methoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
• CAS No.: 50939-80-5
• Molecular Formula: C₁₆H₁₅N₃O₂
• Molecular Weight: 281.314
• ChEMBL ID: CHEMBL1378475
• DSSTox Substance ID: DTXSID901325808
• Mol file: 50939-80-5.mol

Synonyms:4-methoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline;50939-80-5;4-methoxy-N-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)aniline;MLS001167956;CHEMBL1378475;DTXSID901325808;HMS2956N11;AKOS002263314;SMR000641169;Z52837638;F1749-0078

Chemical Property of 4-methoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 281.116426730
• Heavy Atom Count: 21
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NCC2=NN=C(O2)C3=CC=CC=C3

Technology Process of 4-methoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

There total 2 articles about 4-methoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline 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:

Ν-p-methylbenzoyl-N'-chloroacetyl (50677-24-2) → N-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)4-methoxyaniline (50939-80-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄

2: K₂CO₃ / dimethylsulfoxide

With sulfuric acid; potassium carbonate; In dimethyl sulfoxide;

Reference yield:

4-methoxy-aniline (104-94-9) + 2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole (33575-83-6) → N-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)4-methoxyaniline (50939-80-5)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide;

Reference yield: 98.0%

N-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)4-methoxyaniline (50939-80-5) + 1,3-dioxoisoindolin-2-yl cyclohexanecarboxylate (126812-30-4) → N-(cyclohexyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-4-methoxyaniline

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; copper acetylacetonate; 3,4,7,8-Tetramethyl-o-phenanthrolin; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In acetonitrile; for 12h; Inert atmosphere; Irradiation;

upstream raw materials:

4-methoxy-aniline

2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole

Ν-p-methylbenzoyl-N'-chloroacetyl