4-(1,2,4-oxadiazol-3-yl)Benzenamine

Base Information

• Chemical Name: 4-(1,2,4-oxadiazol-3-yl)Benzenamine
• CAS No.: 59908-70-2
• Molecular Formula: C8H7N3O
• Molecular Weight: 161.163
• Mol file: 59908-70-2.mol

Synonyms:4]oxadiazol-3-yl-phenylamine;Benzenamine,4-(1,2,4-oxadiazol-3-yl);3-(4-aminophenyl)-1,24-oxadiazole;4-([1,2,4]Oxadiazol-3-yl)phenylamine;3-(4-Aminophenyl)-1,2,4-oxadiazol;

Chemical Property of 4-(1,2,4-oxadiazol-3-yl)Benzenamine

Chemical Property:

• Boiling Point: 336.1±44.0 °C(Predicted)
• PKA: 1.98±0.10(Predicted)
• PSA: 64.94000
• Density: 1.276±0.06 g/cm3(Predicted)
• LogP: 1.90000
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(1,2,4-oxadiazol-3-yl)Benzenamine

There total 4 articles about 4-(1,2,4-oxadiazol-3-yl)Benzenamine 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: 93.1%

3-(4-nitrophenyl)-[1,2,4]oxadiazole (16013-14-2) → 4-[1,2,4]oxadiazol-3-yl-phenylamine (59908-70-2)

Guidance literature:

With trichlorosilane; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 0 - 20 ℃; for 12h; Temperature; Solvent; Reagent/catalyst; Inert atmosphere;

Reference yield:

N-hydroxy-4-nitrobenzamidine (1613-86-1,192332-48-2) → 4-[1,2,4]oxadiazol-3-yl-phenylamine (59908-70-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.2 g / BF₃*Et₂O / Heating

2: 79 percent / H₂, conc. HCl / 10percent Pd/C / aq. ethanol / 2585.7 Torr

With hydrogenchloride; boron trifluoride diethyl etherate; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm00147a019

Reference yield:

4-nitrobenzonitrile (619-72-7) → 4-[1,2,4]oxadiazol-3-yl-phenylamine (59908-70-2)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate; hydroxylamine hydrochloride / ethanol / Reflux

2: Reflux

3: hydrogen / palladium 10% on activated carbon / methanol / 20 °C / 760.05 Torr

With hydroxylamine hydrochloride; hydrogen; potassium carbonate; palladium 10% on activated carbon; In methanol; ethanol;

upstream raw materials:

3-(4-nitrophenyl)-[1,2,4]oxadiazole

N-hydroxy-4-nitrobenzamidine

4-nitrobenzonitrile

Downstream raw materials:

5-(4-isothicyanatophenyl)-1,2,4-oxadiazole

N-(2-((4-(1,2,4-oxadiazol-3-yl)phenyl)amino)-2-oxoethyl)-N-(2,6-dimethylphenyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide

3-[4-(2-bromo-benzoyl)-piperazin-1-yl]-N-(4-[1,2,4]oxadiazol-3-yl-phenyl)-3-oxo-propionamide

N-(4-[1,2,4]oxadiazol-3-yl-phenyl)-3-oxo-3-[4-(3,4,5-trifluoro-benzoyl)-piperazin-1-yl]-propionamide