2-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)aniline

Base Information

• Chemical Name: 2-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)aniline
• CAS No.: 88185-03-9
• Molecular Formula: C15H13N3O2
• Molecular Weight: 267.287
• DSSTox Substance ID: DTXSID50518600
• Nikkaji Number: J3.414.813I
• Wikidata: Q82381347

Synonyms:88185-03-9;2-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)aniline;2-[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline;DTXSID50518600

Chemical Property of 2-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)aniline

Chemical Property:

• PSA: 74.17000
• LogP: 3.57560
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 267.100776666
• Heavy Atom Count: 20
• Complexity: 308

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3N

Technology Process of 2-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)aniline

There total 8 articles about 2-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)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: 100.0%

2-(4-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole (107821-64-7) → 2-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)aniline (88185-03-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; ethanol; at 20 ℃; for 1h; under 2250.23 Torr;

DOI:10.1016/j.ejmech.2018.01.012

Reference yield: 84.0%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + 4-methoxybenzoic acid hydrazide (3290-99-1) → 2-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)aniline (88185-03-9)

Guidance literature:

With potassium carbonate; potassium iodide; In dimethyl sulfoxide; at 120 ℃; for 2h; Electrolysis;

DOI:10.1021/acs.joc.0c01700

Reference yield: 61.0%

N-(2-amino-benzoyl)-N'-p-methoxy-benzoylhydrazine (75878-18-1) → 2-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)aniline (88185-03-9)

Guidance literature:

With trichlorophosphate; for 3h; Heating;

DOI:10.1055/s-1983-30538

upstream raw materials:

N-(2-amino-benzoyl)-N'-p-methoxy-benzoylhydrazine

4-methoxybenzoic acid

anthranilic acid hydrazide

isatoic anhydride

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