5-(Pyridin-3-yl)-1,2,4-oxadiazol-3-amine

Base Information

• Chemical Name: 5-(Pyridin-3-yl)-1,2,4-oxadiazol-3-amine
• CAS No.: 73631-18-2
• Molecular Formula: C₇H₆N₄O
• Molecular Weight: 162.151
• Hs Code.: 2934999090
• European Community (EC) Number: 692-436-9
• DSSTox Substance ID: DTXSID20506231
• Wikidata: Q82361892
• Mol file: 73631-18-2.mol

Synonyms:5-(pyridin-3-yl)-1,2,4-oxadiazol-3-amine;73631-18-2;5-PYRIDIN-3-YL-1,2,4-OXADIAZOL-3-AMINE;3-Amino-5-(pyridin-3-yl)-1,2,4-oxadiazole;5-(3-PYRIDINYL)-1,2,4-OXADIAZOL-3-AMINE;SCHEMBL9446750;DTXSID20506231;AMY36604;YCA63118;MFCD09864898;AKOS013003139;AS-5258;AT37657;A9490;CS-0313895;FT-0682545;5-PYRIDIN-3-YL-[1,2,4]OXADIAZOL-3-YLAMINE

Chemical Property of 5-(Pyridin-3-yl)-1,2,4-oxadiazol-3-amine

Chemical Property:

• Vapor Pressure: 7.96E-06mmHg at 25°C
• Refractive Index: 1.614
• Boiling Point: 375.1°C at 760 mmHg
• Flash Point: 180.7°C
• PSA: 77.83000
• Density: 1.357g/cm³
• LogP: 1.29500
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 162.05416083
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

99%, ^*data from raw suppliers

5-Pyridin-3-yl-[1,2,4]oxadiazol-3-ylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C2=NC(=NO2)N

Technology Process of 5-(Pyridin-3-yl)-1,2,4-oxadiazol-3-amine

There total 3 articles about 5-(Pyridin-3-yl)-1,2,4-oxadiazol-3-amine 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: 62.0%

N-(pyridyl-3-carbonyl)guanidine (6531-75-5) → 5-Pyridin-3-yl-[1,2,4]oxadiazol-3-ylamine (73631-18-2)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In N,N-dimethyl-formamide; at 20 ℃; for 6h;

DOI:10.1039/c6ra08871f

Reference yield:

C7H6N4 (73631-23-9) → 5-Pyridin-3-yl-[1,2,4]oxadiazol-3-ylamine (73631-18-2)

Guidance literature:

With hydroxylamine hydrochloride; In pyridine; methanol; for 24h; Heating;

DOI:10.1021/jm00180a025

Reference yield:

ethyl 3-pyridinecarboximidate hydrochloride (56624-12-5) → 5-Pyridin-3-yl-[1,2,4]oxadiazol-3-ylamine (73631-18-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / methanol / 30 h / Ambient temperature

2: hydroxylamine hydrochloride / methanol; pyridine / 24 h / Heating

With hydroxylamine hydrochloride; potassium carbonate; In pyridine; methanol;

DOI:10.1021/jm00180a025

upstream raw materials:

C₇H₆N₄

ethyl 3-pyridinecarboximidate hydrochloride

N-(pyridyl-3-carbonyl)guanidine

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